2021-07-10T04:14:48,019 Created temporary directory: /tmp/pip-ephem-wheel-cache-10jf4bm1 2021-07-10T04:14:48,022 Created temporary directory: /tmp/pip-req-tracker-t0x6cdht 2021-07-10T04:14:48,023 Initialized build tracking at /tmp/pip-req-tracker-t0x6cdht 2021-07-10T04:14:48,023 Created build tracker: /tmp/pip-req-tracker-t0x6cdht 2021-07-10T04:14:48,023 Entered build tracker: /tmp/pip-req-tracker-t0x6cdht 2021-07-10T04:14:48,024 Created temporary directory: /tmp/pip-wheel-zi0xm77g 2021-07-10T04:14:48,061 1 location(s) to search for versions of raspa2: 2021-07-10T04:14:48,061 * https://pypi.org/simple/raspa2/ 2021-07-10T04:14:48,062 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2021-07-10T04:14:48,062 Getting page https://pypi.org/simple/raspa2/ 2021-07-10T04:14:48,064 Found index url https://pypi.org/simple 2021-07-10T04:14:48,156 Found link https://files.pythonhosted.org/packages/13/96/b7c3139df4febe43380e8391c52883a361aa4c3b1a48ca59cb124a678c43/RASPA2-2.0.0.tar.gz#sha256=45e2c9a03ac203f4f3820486f522ca8ed5a77ab7b7a118f5ccaaefe404220bcf (from https://pypi.org/simple/raspa2/), version: 2.0.0 2021-07-10T04:14:48,156 Found link https://files.pythonhosted.org/packages/73/5d/292863b00a128c69bffbb57894d7fbf959bcea6bf6b9ae7f1dc465a76e3a/RASPA2-2.0.1.tar.gz#sha256=e6062a9ad4ed4afbb35dea9e010ae8edc810ce4b2894e44f91a04ad28735826e (from https://pypi.org/simple/raspa2/), version: 2.0.1 2021-07-10T04:14:48,157 Found link https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz#sha256=4fb6674f8f4431e91c178c57cdd12a7c3f097967c4430fe7aa988b06f7a920a4 (from https://pypi.org/simple/raspa2/), version: 2.0.2 2021-07-10T04:14:48,174 Skipping link: none of the wheel's tags (cp34-cp34m-macosx_10_5_x86_64) are compatible (run pip debug --verbose to show compatible tags): https://files.pythonhosted.org/packages/8a/8c/5efbf97988c86f120646e3c575b53b5ce63d09eb6692c11e1a89f288f3a9/RASPA2-2.0.3-cp34-cp34m-macosx_10_5_x86_64.whl#sha256=b47479c8cbe9465f251689c0eac29921a8263b1c2c85f1a19b57d4dc5c4a789d (from https://pypi.org/simple/raspa2/) 2021-07-10T04:14:48,175 Found link https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz#sha256=f4ee7f32d9c13263e213d36695ef61dd23985900c4cee98bacfe0bee22002229 (from https://pypi.org/simple/raspa2/), version: 2.0.3 2021-07-10T04:14:48,175 Skipping link: none of the wheel's tags (cp37-cp37m-macosx_10_9_x86_64) are compatible (run pip debug --verbose to show compatible tags): https://files.pythonhosted.org/packages/b9/ae/67a5038d0931d0e444c86487983359e6462f52286eb1840011022ba81a00/RASPA2-2.0.4-cp37-cp37m-macosx_10_9_x86_64.whl#sha256=37afc2779ad3d57be470b23bff8339b600fe1e1601aed216b833912363a36e36 (from https://pypi.org/simple/raspa2/) 2021-07-10T04:14:48,176 Skipping link: none of the wheel's tags (cp37-cp37m-manylinux_2_24_x86_64) are compatible (run pip debug --verbose to show compatible tags): https://files.pythonhosted.org/packages/fd/40/5f0c69b05c8f564e6caf3f8c99179b424b02bdbaf3f76aa3d8d947ee382b/RASPA2-2.0.4-cp37-cp37m-manylinux_2_24_x86_64.whl#sha256=494d06c4c193d4873303cb214061b598be50329cd5aa91ef708fad99c229294e (from https://pypi.org/simple/raspa2/) 2021-07-10T04:14:48,176 Found link https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz#sha256=b051782dddc395b008c31f47347da344b202ac3aa909610e3ce67e94c51f2bf1 (from https://pypi.org/simple/raspa2/), version: 2.0.4 2021-07-10T04:14:48,176 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2021-07-10T04:14:48,178 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2021-07-10T04:14:48,197 Collecting raspa2==2.0.2 2021-07-10T04:14:48,198 Created temporary directory: /tmp/pip-unpack-7pqt7ipj 2021-07-10T04:14:49,939 Downloading RASPA2-2.0.2.tar.gz (3.3 MB) 2021-07-10T04:14:53,204 Added raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz#sha256=4fb6674f8f4431e91c178c57cdd12a7c3f097967c4430fe7aa988b06f7a920a4 to build tracker '/tmp/pip-req-tracker-t0x6cdht' 2021-07-10T04:14:53,205 Running setup.py (path:/tmp/pip-wheel-zi0xm77g/raspa2_62d0d4af7ced489aa73fd5525b0f58fb/setup.py) egg_info for package raspa2 2021-07-10T04:14:53,206 Created temporary directory: /tmp/pip-pip-egg-info-0tucw70n 2021-07-10T04:14:53,206 Running command python setup.py egg_info 2021-07-10T04:14:54,691 running egg_info 2021-07-10T04:14:54,693 creating /tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info 2021-07-10T04:14:54,694 writing /tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info/PKG-INFO 2021-07-10T04:14:54,696 writing dependency_links to /tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info/dependency_links.txt 2021-07-10T04:14:54,697 writing entry points to /tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info/entry_points.txt 2021-07-10T04:14:54,699 writing top-level names to /tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info/top_level.txt 2021-07-10T04:14:54,700 writing manifest file '/tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info/SOURCES.txt' 2021-07-10T04:14:54,850 package init file './__init__.py' not found (or not a regular file) 2021-07-10T04:14:55,028 reading manifest file '/tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info/SOURCES.txt' 2021-07-10T04:14:55,030 reading manifest template 'MANIFEST.in' 2021-07-10T04:14:55,703 writing manifest file '/tmp/pip-pip-egg-info-0tucw70n/RASPA2.egg-info/SOURCES.txt' 2021-07-10T04:14:55,834 Source in /tmp/pip-wheel-zi0xm77g/raspa2_62d0d4af7ced489aa73fd5525b0f58fb has version 2.0.2, which satisfies requirement raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz#sha256=4fb6674f8f4431e91c178c57cdd12a7c3f097967c4430fe7aa988b06f7a920a4 2021-07-10T04:14:55,835 Removed raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz#sha256=4fb6674f8f4431e91c178c57cdd12a7c3f097967c4430fe7aa988b06f7a920a4 from build tracker '/tmp/pip-req-tracker-t0x6cdht' 2021-07-10T04:14:55,839 Created temporary directory: /tmp/pip-unpack-ezlupqk_ 2021-07-10T04:14:55,839 Building wheels for collected packages: raspa2 2021-07-10T04:14:55,843 Created temporary directory: /tmp/pip-wheel-lgpdapp3 2021-07-10T04:14:55,843 Building wheel for raspa2 (setup.py): started 2021-07-10T04:14:55,844 Destination directory: /tmp/pip-wheel-lgpdapp3 2021-07-10T04:14:55,844 Running command /usr/bin/python3 -u -c 'import io, os, sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-zi0xm77g/raspa2_62d0d4af7ced489aa73fd5525b0f58fb/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-zi0xm77g/raspa2_62d0d4af7ced489aa73fd5525b0f58fb/setup.py'"'"';f = getattr(tokenize, '"'"'open'"'"', open)(__file__) if os.path.exists(__file__) else io.StringIO('"'"'from setuptools import setup; setup()'"'"');code = f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' bdist_wheel -d /tmp/pip-wheel-lgpdapp3 2021-07-10T04:14:57,238 running bdist_wheel 2021-07-10T04:14:57,392 running build 2021-07-10T04:14:57,392 running build_py 2021-07-10T04:14:57,534 creating build 2021-07-10T04:14:57,534 creating build/lib.linux-armv7l-3.9 2021-07-10T04:14:57,535 creating build/lib.linux-armv7l-3.9/RASPA2 2021-07-10T04:14:57,536 copying python/__init__.py -> build/lib.linux-armv7l-3.9/RASPA2 2021-07-10T04:14:57,537 copying python/output_parser.py -> build/lib.linux-armv7l-3.9/RASPA2 2021-07-10T04:14:57,540 copying python/raspa2.py -> build/lib.linux-armv7l-3.9/RASPA2 2021-07-10T04:14:57,542 package init file './__init__.py' not found (or not a regular file) 2021-07-10T04:14:57,543 running egg_info 2021-07-10T04:14:57,557 writing RASPA2.egg-info/PKG-INFO 2021-07-10T04:14:57,559 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2021-07-10T04:14:57,561 writing entry points to RASPA2.egg-info/entry_points.txt 2021-07-10T04:14:57,563 writing top-level names to RASPA2.egg-info/top_level.txt 2021-07-10T04:14:57,579 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2021-07-10T04:14:57,614 reading manifest template 'MANIFEST.in' 2021-07-10T04:14:58,398 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2021-07-10T04:14:58,478 creating build/lib.linux-armv7l-3.9/RASPA2/share 2021-07-10T04:14:58,479 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa 2021-07-10T04:14:58,479 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,480 copying ./src/cbmc.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,487 copying ./src/cbmc.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,489 copying ./src/charge_equilibration.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,492 copying ./src/charge_equilibration.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,496 copying ./src/complex.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,498 copying ./src/complex.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,501 copying ./src/constants.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,504 copying ./src/constants.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,507 copying ./src/cubic_spline_1d.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,511 copying ./src/cubic_spline_1d.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,514 copying ./src/equations_of_state.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,517 copying ./src/equations_of_state.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,520 copying ./src/ewald.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,551 copying ./src/ewald.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,554 copying ./src/framework.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,575 copying ./src/framework.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,578 copying ./src/framework_born.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,584 copying ./src/framework_born.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,587 copying ./src/framework_energy.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,597 copying ./src/framework_energy.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,600 copying ./src/framework_force.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,612 copying ./src/framework_force.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,614 copying ./src/framework_hessian.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,625 copying ./src/framework_hessian.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,628 copying ./src/grids.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,633 copying ./src/grids.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,636 copying ./src/input.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,650 copying ./src/input.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,652 copying ./src/integrate.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,655 copying ./src/integrate.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,657 copying ./src/integration.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,662 copying ./src/integration.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,664 copying ./src/inter_born.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,668 copying ./src/inter_born.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,670 copying ./src/inter_energy.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,680 copying ./src/inter_energy.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,682 copying ./src/inter_force.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,690 copying ./src/inter_force.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,692 copying ./src/inter_hessian.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,703 copying ./src/inter_hessian.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,706 copying ./src/internal_born.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,715 copying ./src/internal_born.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,717 copying ./src/internal_energy.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,725 copying ./src/internal_energy.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,727 copying ./src/internal_force.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,737 copying ./src/internal_force.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,739 copying ./src/internal_hessian.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,760 copying ./src/internal_hessian.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,763 copying ./src/linear_equations.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,766 copying ./src/linear_equations.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,768 copying ./src/main.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,771 copying ./src/matrix.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,776 copying ./src/matrix.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,779 copying ./src/mc_moves.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,823 copying ./src/mc_moves.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,825 copying ./src/minimization.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,833 copying ./src/minimization.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,836 copying ./src/minimization_simulation.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,839 copying ./src/minimization_simulation.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,841 copying ./src/molecular_dynamics.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,844 copying ./src/molecular_dynamics.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,847 copying ./src/molecule.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,858 copying ./src/molecule.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,861 copying ./src/molecule_properties.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,864 copying ./src/molecule_properties.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,867 copying ./src/monte_carlo.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,872 copying ./src/monte_carlo.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,874 copying ./src/movies.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,879 copying ./src/movies.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,882 copying ./src/numerical.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,894 copying ./src/numerical.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,897 copying ./src/output.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,912 copying ./src/output.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,915 copying ./src/potentials.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,933 copying ./src/potentials.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,936 copying ./src/recrossing.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,940 copying ./src/recrossing.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,942 copying ./src/rigid.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,951 copying ./src/rigid.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,954 copying ./src/run.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,957 copying ./src/run.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,959 copying ./src/sample.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,977 copying ./src/sample.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,980 copying ./src/scattering_factors.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,986 copying ./src/scattering_factors.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,988 copying ./src/simulation.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,993 copying ./src/simulation.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:58,996 copying ./src/spacegroup.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,068 copying ./src/spacegroup.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,070 copying ./src/spectra.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,075 copying ./src/spectra.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,077 copying ./src/statistics.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,086 copying ./src/statistics.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,088 copying ./src/status.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,099 copying ./src/status.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,102 copying ./src/thermo_baro_stats.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,109 copying ./src/thermo_baro_stats.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,111 copying ./src/utils.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,116 copying ./src/utils.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,118 copying ./src/vector.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,121 copying ./src/vector.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,124 copying ./src/warnings.c -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,127 copying ./src/warnings.h -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src 2021-07-10T04:14:59,129 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield 2021-07-10T04:14:59,130 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-10T04:14:59,131 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-10T04:14:59,134 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-10T04:14:59,137 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-10T04:14:59,139 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:14:59,140 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:14:59,143 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:14:59,145 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:14:59,148 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:14:59,149 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:14:59,152 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:14:59,155 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:14:59,157 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:14:59,158 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:14:59,161 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:14:59,163 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:14:59,166 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:14:59,167 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:14:59,170 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:14:59,172 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:14:59,175 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:14:59,176 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:14:59,179 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:14:59,181 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:14:59,184 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:14:59,185 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:14:59,188 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:14:59,190 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:14:59,193 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:14:59,194 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:14:59,197 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:14:59,199 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:14:59,202 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:14:59,203 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:14:59,206 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:14:59,208 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:14:59,211 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:14:59,212 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:14:59,214 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:14:59,217 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:14:59,219 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-10T04:14:59,220 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-10T04:14:59,223 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-10T04:14:59,226 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:14:59,227 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:14:59,230 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:14:59,232 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:14:59,235 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:14:59,236 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:14:59,239 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:14:59,242 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:14:59,245 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:14:59,246 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:14:59,249 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:14:59,251 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:14:59,254 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:14:59,255 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:14:59,258 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:14:59,261 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:14:59,263 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:14:59,264 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:14:59,267 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:14:59,269 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:14:59,272 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:14:59,274 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:14:59,277 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:14:59,279 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:14:59,282 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-10T04:14:59,283 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-10T04:14:59,286 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-10T04:14:59,289 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:14:59,290 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:14:59,293 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:14:59,296 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:14:59,299 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:14:59,300 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:14:59,303 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:14:59,305 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:14:59,308 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:14:59,309 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:14:59,312 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:14:59,315 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:14:59,318 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:14:59,319 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:14:59,321 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:14:59,324 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:14:59,327 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:14:59,328 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:14:59,330 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:14:59,333 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:14:59,336 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework 2021-07-10T04:14:59,336 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:14:59,337 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:14:59,339 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/DemontisModified 2021-07-10T04:14:59,340 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/DemontisModified 2021-07-10T04:14:59,343 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-10T04:14:59,344 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-10T04:14:59,346 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-10T04:14:59,347 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-10T04:14:59,349 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Nicholas 2021-07-10T04:14:59,350 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Nicholas 2021-07-10T04:14:59,352 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-10T04:14:59,353 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-10T04:14:59,356 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/NicholasModified 2021-07-10T04:14:59,356 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/NicholasModified 2021-07-10T04:14:59,359 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-10T04:14:59,360 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-10T04:14:59,362 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:14:59,363 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:14:59,365 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:14:59,366 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:14:59,368 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Demontis 2021-07-10T04:14:59,369 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Demontis 2021-07-10T04:14:59,372 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules 2021-07-10T04:14:59,372 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:14:59,373 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:14:59,375 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:14:59,378 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:14:59,380 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:14:59,382 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:14:59,384 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,385 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,387 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,390 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,392 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,394 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,396 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,398 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,401 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,403 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,405 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,407 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,410 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,412 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,414 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,417 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,419 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,421 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,423 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,425 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,428 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,430 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,432 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,434 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,437 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,439 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,441 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,444 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,446 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,448 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,450 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,452 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,455 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,457 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,459 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,461 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,464 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,466 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,468 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,471 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,473 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,475 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,477 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,480 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,482 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,485 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,487 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,489 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,491 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,494 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,496 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,498 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,500 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,502 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,505 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,507 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,509 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,511 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,514 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,516 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,518 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,521 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,523 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,525 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,527 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,529 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,531 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,534 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,536 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,538 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,540 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,542 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,544 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,546 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,549 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,551 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,553 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,555 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,557 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,559 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,562 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,564 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,567 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,570 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,572 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,574 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,576 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,578 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,581 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,583 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,585 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,587 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,589 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,592 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,595 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,597 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,599 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,601 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,604 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,606 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,608 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,610 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,612 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,615 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,617 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,619 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,621 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,624 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,626 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,628 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,630 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,632 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,635 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,637 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:14:59,639 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-10T04:14:59,640 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-10T04:14:59,642 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/EPM2 2021-07-10T04:14:59,643 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/EPM2 2021-07-10T04:14:59,645 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,646 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,648 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,650 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,653 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,655 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,657 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,659 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,661 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,663 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,665 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,667 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:14:59,669 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures 2021-07-10T04:14:59,670 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,671 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,673 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,677 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,679 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,682 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,684 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,686 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,695 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,697 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,699 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,702 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,705 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,707 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,710 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,712 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,715 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,718 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,721 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,725 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,728 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,732 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,735 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,740 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,746 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,749 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,758 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,760 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,762 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,765 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,767 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,770 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,772 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,776 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,779 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,782 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,784 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,786 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,789 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,791 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,798 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,801 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,811 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,814 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,816 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,818 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,821 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,824 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,826 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,828 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,832 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,837 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,840 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,842 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,844 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,850 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,852 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,856 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,859 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,863 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,865 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,867 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,870 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,872 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,878 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,881 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,883 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,889 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,892 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,895 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,897 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,900 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,902 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,904 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,906 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,911 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,915 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,917 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,919 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,925 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,929 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,931 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,934 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,939 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,942 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,944 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,946 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,950 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,952 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,958 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,960 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,963 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,966 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,968 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,970 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,974 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,981 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,983 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,985 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,988 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,990 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,994 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:14:59,997 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,000 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,003 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,010 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,016 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,020 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,023 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,025 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,028 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,030 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,033 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,036 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,039 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,041 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,043 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,046 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,048 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,051 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,059 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,065 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,067 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,072 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,074 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,076 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,078 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,088 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,090 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,092 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,097 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,102 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,104 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,108 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,110 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,113 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,115 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,118 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,120 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,122 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,125 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,127 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,131 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,134 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,137 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,141 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,151 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,154 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,164 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,166 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,187 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,191 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,195 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,198 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,200 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,206 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,211 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,215 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,218 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,223 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,228 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,234 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,236 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,239 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,242 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,245 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,251 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,253 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,256 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,262 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,267 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,269 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,273 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,277 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,280 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,282 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,287 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,289 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,293 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,295 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,298 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,302 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,304 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,306 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,309 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,337 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,339 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,342 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,348 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,350 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,352 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,355 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,357 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,361 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,363 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,366 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,368 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,371 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,373 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,376 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,380 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,383 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,394 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-10T04:15:00,401 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,402 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,404 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,406 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,409 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,411 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,413 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,415 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,417 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,420 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,422 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,424 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,426 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,429 copying ./structures/block/FER.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,431 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,433 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,435 copying ./structures/block/test.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,437 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,439 copying ./structures/block/GME.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,442 copying ./structures/block/TON.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,444 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,446 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-10T04:15:00,449 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/ions 2021-07-10T04:15:00,450 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/ions 2021-07-10T04:15:00,456 running build_ext 2021-07-10T04:15:00,461 building 'RASPA2.simulations.lib.libraspa2' extension 2021-07-10T04:15:00,463 creating build/temp.linux-armv7l-3.9 2021-07-10T04:15:00,464 creating build/temp.linux-armv7l-3.9/src 2021-07-10T04:15:00,467 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/cbmc.c -o build/temp.linux-armv7l-3.9/src/cbmc.o 2021-07-10T04:15:00,743 src/cbmc.c: In function ‘GrowReservoirMolecule’: 2021-07-10T04:15:00,744 src/cbmc.c:3184:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2021-07-10T04:15:00,744 3184 | int StartingBead; 2021-07-10T04:15:00,745 | ^~~~~~~~~~~~ 2021-07-10T04:15:00,746 src/cbmc.c:3182:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2021-07-10T04:15:00,746 3182 | REAL PreFactor; 2021-07-10T04:15:00,746 | ^~~~~~~~~ 2021-07-10T04:15:00,749 src/cbmc.c: In function ‘GrowReservoirMolecules’: 2021-07-10T04:15:00,751 src/cbmc.c:3285:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2021-07-10T04:15:00,751 3285 | int StartingBead,mol_index; 2021-07-10T04:15:00,751 | ^~~~~~~~~~~~ 2021-07-10T04:15:00,753 src/cbmc.c:3283:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2021-07-10T04:15:00,753 3283 | REAL PreFactor; 2021-07-10T04:15:00,753 | ^~~~~~~~~ 2021-07-10T04:15:00,756 src/cbmc.c: In function ‘GrowReservoirMolecules2’: 2021-07-10T04:15:00,758 src/cbmc.c:3395:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2021-07-10T04:15:00,758 3395 | int StartingBead,mol_index; 2021-07-10T04:15:00,758 | ^~~~~~~~~~~~ 2021-07-10T04:15:00,759 src/cbmc.c:3393:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2021-07-10T04:15:00,760 3393 | REAL PreFactor; 2021-07-10T04:15:00,760 | ^~~~~~~~~ 2021-07-10T04:15:00,886 At top level: 2021-07-10T04:15:00,887 src/cbmc.c:326:13: warning: ‘EnergyCationPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,887 326 | static REAL EnergyCationPermanentDipolePermanentDipoleFirstBead; 2021-07-10T04:15:00,887 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,887 src/cbmc.c:325:13: warning: ‘EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,887 325 | static REAL EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead; 2021-07-10T04:15:00,887 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,887 src/cbmc.c:324:13: warning: ‘EnergyHostPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,888 324 | static REAL EnergyHostPermanentDipolePermanentDipoleFirstBead; 2021-07-10T04:15:00,888 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,888 src/cbmc.c:323:13: warning: ‘EnergyCationBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,888 323 | static REAL EnergyCationBondDipolePermanentDipoleFirstBead; 2021-07-10T04:15:00,889 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,889 src/cbmc.c:322:13: warning: ‘EnergyAdsorbateBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,889 322 | static REAL EnergyAdsorbateBondDipolePermanentDipoleFirstBead; 2021-07-10T04:15:00,889 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,889 src/cbmc.c:321:13: warning: ‘EnergyHostBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,890 321 | static REAL EnergyHostBondDipolePermanentDipoleFirstBead; 2021-07-10T04:15:00,890 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,890 src/cbmc.c:317:13: warning: ‘EnergyCationChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,890 317 | static REAL EnergyCationChargePermanentDipoleFirstBead; 2021-07-10T04:15:00,890 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,890 src/cbmc.c:316:13: warning: ‘EnergyAdsorbateChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,890 316 | static REAL EnergyAdsorbateChargePermanentDipoleFirstBead; 2021-07-10T04:15:00,891 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,891 src/cbmc.c:315:13: warning: ‘EnergyHostChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,891 315 | static REAL EnergyHostChargePermanentDipoleFirstBead; 2021-07-10T04:15:00,891 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,891 src/cbmc.c:187:13: warning: ‘IntraPermanentDipoles’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,891 187 | static int *IntraPermanentDipoles; 2021-07-10T04:15:00,891 | ^~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:00,891 src/cbmc.c:186:12: warning: ‘NumberOfIntraPermanentDipoles’ defined but not used [-Wunused-variable] 2021-07-10T04:15:00,892 186 | static int NumberOfIntraPermanentDipoles; 2021-07-10T04:15:00,892 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:09,656 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/charge_equilibration.c -o build/temp.linux-armv7l-3.9/src/charge_equilibration.o 2021-07-10T04:15:09,856 src/charge_equilibration.c: In function ‘SolveMatrix’: 2021-07-10T04:15:09,856 src/charge_equilibration.c:634:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:09,856 634 | REAL aii,alpha,f,ak; 2021-07-10T04:15:09,856 | ^~~ 2021-07-10T04:15:10,909 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/complex.c -o build/temp.linux-armv7l-3.9/src/complex.o 2021-07-10T04:15:11,197 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/constants.c -o build/temp.linux-armv7l-3.9/src/constants.o 2021-07-10T04:15:11,607 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/cubic_spline_1d.c -o build/temp.linux-armv7l-3.9/src/cubic_spline_1d.o 2021-07-10T04:15:11,753 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2021-07-10T04:15:11,754 src/cubic_spline_1d.c:157:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:11,754 157 | REAL tmp1,tmp2,tmp3; 2021-07-10T04:15:11,754 | ^~~~ 2021-07-10T04:15:11,754 src/cubic_spline_1d.c:157:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:11,754 157 | REAL tmp1,tmp2,tmp3; 2021-07-10T04:15:11,755 | ^~~~ 2021-07-10T04:15:11,756 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2021-07-10T04:15:11,756 src/cubic_spline_1d.c:236:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:11,756 236 | REAL tmp1,tmp2,tmp3; 2021-07-10T04:15:11,756 | ^~~~ 2021-07-10T04:15:11,757 src/cubic_spline_1d.c:236:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:11,757 236 | REAL tmp1,tmp2,tmp3; 2021-07-10T04:15:11,757 | ^~~~ 2021-07-10T04:15:11,757 src/cubic_spline_1d.c:235:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:11,757 235 | REAL valuea,valueb; 2021-07-10T04:15:11,757 | ^~~~~~ 2021-07-10T04:15:11,757 src/cubic_spline_1d.c:235:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:11,758 235 | REAL valuea,valueb; 2021-07-10T04:15:11,758 | ^~~~~~ 2021-07-10T04:15:11,778 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2021-07-10T04:15:11,779 src/cubic_spline_1d.c:891:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:11,779 891 | int error=7,i; 2021-07-10T04:15:11,779 | ^~~~~ 2021-07-10T04:15:13,425 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/equations_of_state.c -o build/temp.linux-armv7l-3.9/src/equations_of_state.o 2021-07-10T04:15:14,540 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/ewald.c -o build/temp.linux-armv7l-3.9/src/ewald.o 2021-07-10T04:15:14,970 src/ewald.c: In function ‘EwaldEnergyIon’: 2021-07-10T04:15:14,970 src/ewald.c:617:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:14,970 617 | VECTOR *kvecs; 2021-07-10T04:15:14,970 | ^~~~~ 2021-07-10T04:15:14,985 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2021-07-10T04:15:14,986 src/ewald.c:746:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:14,986 746 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2021-07-10T04:15:14,986 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:14,986 src/ewald.c:741:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:14,986 741 | REAL temp,alpha,charge; 2021-07-10T04:15:14,986 | ^~~~~ 2021-07-10T04:15:14,999 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2021-07-10T04:15:15,000 src/ewald.c:1286:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,000 1286 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2021-07-10T04:15:15,000 | ^~~~~ 2021-07-10T04:15:15,029 src/ewald.c: In function ‘EwaldFourierEnergy’: 2021-07-10T04:15:15,030 src/ewald.c:1780:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,030 1780 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2021-07-10T04:15:15,030 | ^~~ 2021-07-10T04:15:15,030 src/ewald.c:1758:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,031 1758 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,031 | ^~~~~ 2021-07-10T04:15:15,031 src/ewald.c:1758:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,032 1758 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,032 | ^~~~~ 2021-07-10T04:15:15,085 src/ewald.c: In function ‘EwaldFourierForce’: 2021-07-10T04:15:15,087 src/ewald.c:2813:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,087 2813 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,087 | ^~~~~ 2021-07-10T04:15:15,088 src/ewald.c:2813:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,089 2813 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,089 | ^~~~~ 2021-07-10T04:15:15,156 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2021-07-10T04:15:15,159 src/ewald.c:4752:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,159 4752 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,159 | ^~~~~ 2021-07-10T04:15:15,162 src/ewald.c:4752:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,162 4752 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,162 | ^~~~~ 2021-07-10T04:15:15,191 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2021-07-10T04:15:15,196 src/ewald.c:6853:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,196 6853 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-10T04:15:15,196 | ^~~ 2021-07-10T04:15:15,227 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2021-07-10T04:15:15,232 src/ewald.c:7588:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2021-07-10T04:15:15,232 7588 | int typeA; 2021-07-10T04:15:15,232 | ^~~~~ 2021-07-10T04:15:15,237 src/ewald.c:7582:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,237 7582 | int considered_charged; 2021-07-10T04:15:15,237 | ^~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:15,241 src/ewald.c:7581:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2021-07-10T04:15:15,242 7581 | ATOM *atom_pointer; 2021-07-10T04:15:15,242 | ^~~~~~~~~~~~ 2021-07-10T04:15:15,246 src/ewald.c:7580:8: warning: unused variable ‘pair’ [-Wunused-variable] 2021-07-10T04:15:15,246 7580 | PAIR pair; 2021-07-10T04:15:15,247 | ^~~~ 2021-07-10T04:15:15,251 src/ewald.c:7577:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2021-07-10T04:15:15,251 7577 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,251 | ^~~~~ 2021-07-10T04:15:15,256 src/ewald.c:7577:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2021-07-10T04:15:15,256 7577 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,256 | ^~~~~ 2021-07-10T04:15:15,260 src/ewald.c:7577:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2021-07-10T04:15:15,261 7577 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,261 | ^~~~~ 2021-07-10T04:15:15,265 src/ewald.c:7577:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2021-07-10T04:15:15,265 7577 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,265 | ^~~~~ 2021-07-10T04:15:15,270 src/ewald.c:7576:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2021-07-10T04:15:15,270 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2021-07-10T04:15:15,270 | ^~~~~~~ 2021-07-10T04:15:15,275 src/ewald.c:7576:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2021-07-10T04:15:15,275 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2021-07-10T04:15:15,275 | ^~~~~~~ 2021-07-10T04:15:15,279 src/ewald.c:7568:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2021-07-10T04:15:15,279 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,280 | ^~~ 2021-07-10T04:15:15,284 src/ewald.c:7568:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2021-07-10T04:15:15,284 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,284 | ^~~ 2021-07-10T04:15:15,289 src/ewald.c:7568:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2021-07-10T04:15:15,289 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,289 | ^~~~~ 2021-07-10T04:15:15,294 src/ewald.c:7568:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2021-07-10T04:15:15,294 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,294 | ^~~~ 2021-07-10T04:15:15,298 src/ewald.c:7568:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2021-07-10T04:15:15,298 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,299 | ^~~~ 2021-07-10T04:15:15,303 src/ewald.c:7567:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2021-07-10T04:15:15,303 7567 | REAL scaling,scalingA,scalingB; 2021-07-10T04:15:15,303 | ^~~~~~~~ 2021-07-10T04:15:15,308 src/ewald.c:7567:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2021-07-10T04:15:15,308 7567 | REAL scaling,scalingA,scalingB; 2021-07-10T04:15:15,308 | ^~~~~~~~ 2021-07-10T04:15:15,312 src/ewald.c:7567:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2021-07-10T04:15:15,313 7567 | REAL scaling,scalingA,scalingB; 2021-07-10T04:15:15,313 | ^~~~~~~ 2021-07-10T04:15:15,317 src/ewald.c:7564:39: warning: unused variable ‘rr’ [-Wunused-variable] 2021-07-10T04:15:15,317 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2021-07-10T04:15:15,317 | ^~ 2021-07-10T04:15:15,322 src/ewald.c:7564:30: warning: unused variable ‘charge’ [-Wunused-variable] 2021-07-10T04:15:15,322 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2021-07-10T04:15:15,322 | ^~~~~~ 2021-07-10T04:15:15,327 src/ewald.c:7562:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,327 7562 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-10T04:15:15,327 | ^~~ 2021-07-10T04:15:15,331 src/ewald.c:7557:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2021-07-10T04:15:15,332 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2021-07-10T04:15:15,332 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:15:15,336 src/ewald.c:7557:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2021-07-10T04:15:15,336 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2021-07-10T04:15:15,336 | ^~~~~~~~ 2021-07-10T04:15:15,341 src/ewald.c:7557:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2021-07-10T04:15:15,341 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2021-07-10T04:15:15,341 | ^~~~~~~~ 2021-07-10T04:15:15,370 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2021-07-10T04:15:15,375 src/ewald.c:9160:8: warning: unused variable ‘scalingB_old’ [-Wunused-variable] 2021-07-10T04:15:15,375 9160 | REAL scalingB_old; 2021-07-10T04:15:15,375 | ^~~~~~~~~~~~ 2021-07-10T04:15:15,380 src/ewald.c:8464:20: warning: unused variable ‘chargeA_old’ [-Wunused-variable] 2021-07-10T04:15:15,380 8464 | REAL chargeA_new,chargeA_old; 2021-07-10T04:15:15,380 | ^~~~~~~~~~~ 2021-07-10T04:15:15,385 src/ewald.c:8463:21: warning: unused variable ‘scalingA_old’ [-Wunused-variable] 2021-07-10T04:15:15,385 8463 | REAL scalingA_new,scalingA_old; 2021-07-10T04:15:15,386 | ^~~~~~~~~~~~ 2021-07-10T04:15:15,390 src/ewald.c:8462:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2021-07-10T04:15:15,391 8462 | int typeA; 2021-07-10T04:15:15,391 | ^~~~~ 2021-07-10T04:15:15,396 src/ewald.c:8460:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,396 8460 | int RXMCMoleculeNumbers[256]; 2021-07-10T04:15:15,396 | ^~~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:15,401 src/ewald.c:8456:7: warning: unused variable ‘considered_charged’ [-Wunused-variable] 2021-07-10T04:15:15,401 8456 | int considered_charged; 2021-07-10T04:15:15,401 | ^~~~~~~~~~~~~~~~~~ 2021-07-10T04:15:15,406 src/ewald.c:8455:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2021-07-10T04:15:15,406 8455 | ATOM *atom_pointer; 2021-07-10T04:15:15,406 | ^~~~~~~~~~~~ 2021-07-10T04:15:15,411 src/ewald.c:8454:8: warning: unused variable ‘pair’ [-Wunused-variable] 2021-07-10T04:15:15,411 8454 | PAIR pair; 2021-07-10T04:15:15,412 | ^~~~ 2021-07-10T04:15:15,416 src/ewald.c:8451:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2021-07-10T04:15:15,417 8451 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,417 | ^~~~~ 2021-07-10T04:15:15,422 src/ewald.c:8451:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2021-07-10T04:15:15,422 8451 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,422 | ^~~~~ 2021-07-10T04:15:15,427 src/ewald.c:8451:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2021-07-10T04:15:15,427 8451 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,427 | ^~~~~ 2021-07-10T04:15:15,432 src/ewald.c:8451:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2021-07-10T04:15:15,432 8451 | VECTOR posA1,posA2,posB1,posB2; 2021-07-10T04:15:15,432 | ^~~~~ 2021-07-10T04:15:15,437 src/ewald.c:8450:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2021-07-10T04:15:15,437 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2021-07-10T04:15:15,438 | ^~~~~~~ 2021-07-10T04:15:15,443 src/ewald.c:8450:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2021-07-10T04:15:15,443 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2021-07-10T04:15:15,443 | ^~~~~~~ 2021-07-10T04:15:15,448 src/ewald.c:8442:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2021-07-10T04:15:15,448 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,448 | ^~~ 2021-07-10T04:15:15,453 src/ewald.c:8442:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2021-07-10T04:15:15,453 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,453 | ^~~ 2021-07-10T04:15:15,458 src/ewald.c:8442:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2021-07-10T04:15:15,458 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,458 | ^~~~~ 2021-07-10T04:15:15,463 src/ewald.c:8442:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2021-07-10T04:15:15,463 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,464 | ^~~~ 2021-07-10T04:15:15,469 src/ewald.c:8442:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2021-07-10T04:15:15,469 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2021-07-10T04:15:15,469 | ^~~~ 2021-07-10T04:15:15,474 src/ewald.c:8441:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2021-07-10T04:15:15,474 8441 | REAL scaling,scalingA,scalingB; 2021-07-10T04:15:15,474 | ^~~~~~~~ 2021-07-10T04:15:15,479 src/ewald.c:8441:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2021-07-10T04:15:15,479 8441 | REAL scaling,scalingA,scalingB; 2021-07-10T04:15:15,479 | ^~~~~~~~ 2021-07-10T04:15:15,484 src/ewald.c:8441:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2021-07-10T04:15:15,485 8441 | REAL scaling,scalingA,scalingB; 2021-07-10T04:15:15,485 | ^~~~~~~ 2021-07-10T04:15:15,490 src/ewald.c:8438:39: warning: unused variable ‘rr’ [-Wunused-variable] 2021-07-10T04:15:15,490 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2021-07-10T04:15:15,490 | ^~ 2021-07-10T04:15:15,495 src/ewald.c:8438:30: warning: unused variable ‘charge’ [-Wunused-variable] 2021-07-10T04:15:15,495 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2021-07-10T04:15:15,495 | ^~~~~~ 2021-07-10T04:15:15,500 src/ewald.c:8436:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,500 8436 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-10T04:15:15,501 | ^~~ 2021-07-10T04:15:15,506 src/ewald.c:8431:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2021-07-10T04:15:15,506 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2021-07-10T04:15:15,506 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:15:15,511 src/ewald.c:8431:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2021-07-10T04:15:15,511 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2021-07-10T04:15:15,511 | ^~~~~~~~ 2021-07-10T04:15:15,516 src/ewald.c:8431:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2021-07-10T04:15:15,516 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2021-07-10T04:15:15,516 | ^~~~~~~~ 2021-07-10T04:15:15,550 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2021-07-10T04:15:15,556 src/ewald.c:9231:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,556 9231 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-10T04:15:15,556 | ^~~ 2021-07-10T04:15:15,591 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2021-07-10T04:15:15,598 src/ewald.c:9940:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,598 9940 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2021-07-10T04:15:15,598 | ^~~ 2021-07-10T04:15:15,640 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2021-07-10T04:15:15,647 src/ewald.c:10649:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,647 10649 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2021-07-10T04:15:15,647 | ^~~ 2021-07-10T04:15:15,676 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2021-07-10T04:15:15,683 src/ewald.c:11490:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,683 11490 | REAL NetChargeNew,NetChargeOld; 2021-07-10T04:15:15,683 | ^~~~~~~~~~~~ 2021-07-10T04:15:15,716 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2021-07-10T04:15:15,723 src/ewald.c:11973:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,724 11973 | int B1,B2,TypeA; 2021-07-10T04:15:15,724 | ^~~~~ 2021-07-10T04:15:15,731 src/ewald.c:11964:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,731 11964 | int A1,A2,index,A,B; 2021-07-10T04:15:15,731 | ^~~~~ 2021-07-10T04:15:15,738 src/ewald.c:11960:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,738 11960 | REAL NetChargeNew,NetChargeOld; 2021-07-10T04:15:15,739 | ^~~~~~~~~~~~ 2021-07-10T04:15:15,746 src/ewald.c:11956:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,746 11956 | REAL fac; 2021-07-10T04:15:15,746 | ^~~ 2021-07-10T04:15:15,753 src/ewald.c:11955:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,753 11955 | int Type; 2021-07-10T04:15:15,754 | ^~~~ 2021-07-10T04:15:15,763 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2021-07-10T04:15:15,771 src/ewald.c:12623:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,771 12623 | int typeA,typeB,type; 2021-07-10T04:15:15,771 | ^~~~~ 2021-07-10T04:15:15,779 src/ewald.c:12623:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,779 12623 | int typeA,typeB,type; 2021-07-10T04:15:15,779 | ^~~~~ 2021-07-10T04:15:15,787 src/ewald.c:12620:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,787 12620 | VECTOR *kvecs; 2021-07-10T04:15:15,787 | ^~~~~ 2021-07-10T04:15:15,796 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2021-07-10T04:15:15,804 src/ewald.c:12789:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,805 12789 | int typeA,typeB,type; 2021-07-10T04:15:15,805 | ^~~~~ 2021-07-10T04:15:15,812 src/ewald.c:12789:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,813 12789 | int typeA,typeB,type; 2021-07-10T04:15:15,813 | ^~~~~ 2021-07-10T04:15:15,820 src/ewald.c:12786:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,821 12786 | VECTOR *kvecs; 2021-07-10T04:15:15,821 | ^~~~~ 2021-07-10T04:15:15,859 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2021-07-10T04:15:15,867 src/ewald.c:12959:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,867 12959 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,867 | ^~~~~ 2021-07-10T04:15:15,875 src/ewald.c:12959:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,875 12959 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,875 | ^~~~~ 2021-07-10T04:15:15,918 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2021-07-10T04:15:15,927 src/ewald.c:13673:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,927 13673 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,927 | ^~~~~ 2021-07-10T04:15:15,935 src/ewald.c:13673:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,936 13673 | int nvec,type_mol,type,typeA,typeB; 2021-07-10T04:15:15,936 | ^~~~~ 2021-07-10T04:15:15,960 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2021-07-10T04:15:15,969 src/ewald.c:15149:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:15,970 15149 | REAL alpha,fac,temp,fac_self,factor,charge; 2021-07-10T04:15:15,970 | ^~~~~ 2021-07-10T04:15:15,995 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2021-07-10T04:15:16,005 src/ewald.c:15491:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:16,005 15491 | REAL alpha,fac,temp,fac_self,factor,charge; 2021-07-10T04:15:16,005 | ^~~~~ 2021-07-10T04:15:20,059 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2021-07-10T04:15:20,072 src/ewald.c:18725:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:20,072 18725 | REAL *kfactor,alpha,temp; 2021-07-10T04:15:20,072 | ^~~~~ 2021-07-10T04:15:20,084 src/ewald.c:18710:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:20,084 18710 | REAL Usum_framework; 2021-07-10T04:15:20,084 | ^~~~~~~~~~~~~~ 2021-07-10T04:15:20,096 src/ewald.c:18708:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:20,096 18708 | COMPLEX Cksum,CksumFramework; 2021-07-10T04:15:20,096 | ^~~~~~~~~~~~~~ 2021-07-10T04:15:20,108 src/ewald.c:18695:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:20,108 18695 | REAL exp_term,energy_term; 2021-07-10T04:15:20,108 | ^~~~~~~~~~~ 2021-07-10T04:15:20,120 src/ewald.c:18694:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:20,120 18694 | REAL Rksq,fac; 2021-07-10T04:15:20,120 | ^~~ 2021-07-10T04:15:20,132 src/ewald.c:18693:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:20,132 18693 | int type,typeA,typeB,Type; 2021-07-10T04:15:20,132 | ^~~~~ 2021-07-10T04:15:20,144 src/ewald.c:18693:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:15:20,144 18693 | int type,typeA,typeB,Type; 2021-07-10T04:15:20,144 | ^~~~~ 2021-07-10T04:16:26,698 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework.c -o build/temp.linux-armv7l-3.9/src/framework.o 2021-07-10T04:16:26,955 src/framework.c: In function ‘MakeFrameworkCellList’: 2021-07-10T04:16:26,955 src/framework.c:145:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:26,955 145 | int i,f1,icell,M; 2021-07-10T04:16:26,956 | ^ 2021-07-10T04:16:27,005 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2021-07-10T04:16:27,005 src/framework.c:350:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,005 350 | int NumberOfAtomTypeElementsInBlock; 2021-07-10T04:16:27,005 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:27,111 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2021-07-10T04:16:27,112 src/framework.c:2057:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,113 2057 | REAL A,B,C; 2021-07-10T04:16:27,113 | ^ 2021-07-10T04:16:27,114 src/framework.c:2057:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,114 2057 | REAL A,B,C; 2021-07-10T04:16:27,114 | ^ 2021-07-10T04:16:27,115 src/framework.c:2057:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,115 2057 | REAL A,B,C; 2021-07-10T04:16:27,115 | ^ 2021-07-10T04:16:27,133 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2021-07-10T04:16:27,135 src/framework.c:3254:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,135 3254 | int i,temp,index; 2021-07-10T04:16:27,135 | ^~~~~ 2021-07-10T04:16:27,145 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2021-07-10T04:16:27,147 src/framework.c:3558:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,147 3558 | int j,Type; 2021-07-10T04:16:27,148 | ^~~~ 2021-07-10T04:16:27,157 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2021-07-10T04:16:27,159 src/framework.c:3648:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,160 3648 | int SerialNumber; // Atom serial number 2021-07-10T04:16:27,160 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,221 src/framework.c: In function ‘ReadIonSitingDefinition’: 2021-07-10T04:16:27,223 src/framework.c:4843:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,224 4843 | int i,temp,index; 2021-07-10T04:16:27,224 | ^~~~~ 2021-07-10T04:16:27,234 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2021-07-10T04:16:27,237 src/framework.c:5049:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,237 5049 | VECTOR pos,s,t; 2021-07-10T04:16:27,237 | ^ 2021-07-10T04:16:27,327 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2021-07-10T04:16:27,330 src/framework.c:6742:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2021-07-10T04:16:27,330 6742 | int CompareParameters; 2021-07-10T04:16:27,330 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:16:27,333 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2021-07-10T04:16:27,336 src/framework.c:6833:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2021-07-10T04:16:27,336 6833 | int CompareParameters; 2021-07-10T04:16:27,337 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:16:27,372 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2021-07-10T04:16:27,377 src/framework.c:6943:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2021-07-10T04:16:27,377 6943 | int int_temp1,int_temp2; 2021-07-10T04:16:27,377 | ^~~~~~~~~ 2021-07-10T04:16:27,381 src/framework.c:6941:18: warning: unused variable ‘dr’ [-Wunused-variable] 2021-07-10T04:16:27,381 6941 | VECTOR Rab,Rbc,dr; 2021-07-10T04:16:27,381 | ^~ 2021-07-10T04:16:27,386 src/framework.c:6941:14: warning: unused variable ‘Rbc’ [-Wunused-variable] 2021-07-10T04:16:27,386 6941 | VECTOR Rab,Rbc,dr; 2021-07-10T04:16:27,386 | ^~~ 2021-07-10T04:16:27,390 src/framework.c:6941:10: warning: unused variable ‘Rab’ [-Wunused-variable] 2021-07-10T04:16:27,390 6941 | VECTOR Rab,Rbc,dr; 2021-07-10T04:16:27,390 | ^~~ 2021-07-10T04:16:27,395 src/framework.c:6939:18: warning: unused variable ‘theta’ [-Wunused-variable] 2021-07-10T04:16:27,395 6939 | REAL r,rab,rbc,theta; 2021-07-10T04:16:27,395 | ^~~~~ 2021-07-10T04:16:27,399 src/framework.c:6939:14: warning: unused variable ‘rbc’ [-Wunused-variable] 2021-07-10T04:16:27,399 6939 | REAL r,rab,rbc,theta; 2021-07-10T04:16:27,399 | ^~~ 2021-07-10T04:16:27,403 src/framework.c:6939:10: warning: unused variable ‘rab’ [-Wunused-variable] 2021-07-10T04:16:27,404 6939 | REAL r,rab,rbc,theta; 2021-07-10T04:16:27,404 | ^~~ 2021-07-10T04:16:27,408 src/framework.c:6939:8: warning: unused variable ‘r’ [-Wunused-variable] 2021-07-10T04:16:27,408 6939 | REAL r,rab,rbc,theta; 2021-07-10T04:16:27,408 | ^ 2021-07-10T04:16:27,412 src/framework.c:6938:70: warning: unused variable ‘BendTorsionType’ [-Wunused-variable] 2021-07-10T04:16:27,413 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2021-07-10T04:16:27,413 | ^~~~~~~~~~~~~~~ 2021-07-10T04:16:27,417 src/framework.c:6938:52: warning: unused variable ‘BondTorsionType’ [-Wunused-variable] 2021-07-10T04:16:27,417 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2021-07-10T04:16:27,417 | ^~~~~~~~~~~~~~~ 2021-07-10T04:16:27,421 src/framework.c:6938:37: warning: unused variable ‘BendBendType’ [-Wunused-variable] 2021-07-10T04:16:27,421 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2021-07-10T04:16:27,422 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,426 src/framework.c:6938:22: warning: unused variable ‘BondBendType’ [-Wunused-variable] 2021-07-10T04:16:27,426 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2021-07-10T04:16:27,426 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,430 src/framework.c:6938:7: warning: unused variable ‘BondBondType’ [-Wunused-variable] 2021-07-10T04:16:27,430 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2021-07-10T04:16:27,430 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,435 src/framework.c:6937:43: warning: unused variable ‘InversionBendType’ [-Wunused-variable] 2021-07-10T04:16:27,435 6937 | int BondType=0,BendType=0,TorsionType=0,InversionBendType=0,ImproperTorsionType=0; 2021-07-10T04:16:27,435 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:16:27,439 src/framework.c:6936:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,439 6936 | int NumberOfArguments; 2021-07-10T04:16:27,439 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:16:27,443 src/framework.c:6933:53: warning: unused variable ‘TypeNameD’ [-Wunused-variable] 2021-07-10T04:16:27,444 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2021-07-10T04:16:27,444 | ^~~~~~~~~ 2021-07-10T04:16:27,448 src/framework.c:6933:38: warning: unused variable ‘TypeNameC’ [-Wunused-variable] 2021-07-10T04:16:27,448 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2021-07-10T04:16:27,448 | ^~~~~~~~~ 2021-07-10T04:16:27,452 src/framework.c:6932:123: warning: unused variable ‘ListTypeD’ [-Wunused-variable] 2021-07-10T04:16:27,453 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,453 | ^~~~~~~~~ 2021-07-10T04:16:27,457 src/framework.c:6932:113: warning: unused variable ‘ListTypeC’ [-Wunused-variable] 2021-07-10T04:16:27,457 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,457 | ^~~~~~~~~ 2021-07-10T04:16:27,461 src/framework.c:6932:87: warning: unused variable ‘CurrentTypeD’ [-Wunused-variable] 2021-07-10T04:16:27,461 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,461 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,466 src/framework.c:6932:74: warning: unused variable ‘CurrentTypeC’ [-Wunused-variable] 2021-07-10T04:16:27,466 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,466 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,470 src/framework.c:6932:61: warning: unused variable ‘CurrentTypeB’ [-Wunused-variable] 2021-07-10T04:16:27,470 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,470 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,475 src/framework.c:6932:48: warning: unused variable ‘CurrentTypeA’ [-Wunused-variable] 2021-07-10T04:16:27,475 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,475 | ^~~~~~~~~~~~ 2021-07-10T04:16:27,479 src/framework.c:6932:21: warning: unused variable ‘C1’ [-Wunused-variable] 2021-07-10T04:16:27,479 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,479 | ^~ 2021-07-10T04:16:27,483 src/framework.c:6932:18: warning: unused variable ‘B1’ [-Wunused-variable] 2021-07-10T04:16:27,484 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,484 | ^~ 2021-07-10T04:16:27,488 src/framework.c:6932:15: warning: unused variable ‘A1’ [-Wunused-variable] 2021-07-10T04:16:27,488 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2021-07-10T04:16:27,488 | ^~ 2021-07-10T04:16:27,492 src/framework.c:6931:60: warning: unused variable ‘arg_pointer’ [-Wunused-variable] 2021-07-10T04:16:27,492 6931 | char keyword[1024],arguments[16384],firstargument[1024],*arg_pointer; 2021-07-10T04:16:27,493 | ^~~~~~~~~~~ 2021-07-10T04:16:27,497 src/framework.c:6930:20: warning: unused variable ‘string’ [-Wunused-variable] 2021-07-10T04:16:27,497 6930 | char line[16384],string[1024],buffer[256]; 2021-07-10T04:16:27,497 | ^~~~~~ 2021-07-10T04:16:27,501 src/framework.c:6929:45: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2021-07-10T04:16:27,501 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,502 | ^~~~~~~~ 2021-07-10T04:16:27,506 src/framework.c:6929:37: warning: unused variable ‘present’ [-Wunused-variable] 2021-07-10T04:16:27,506 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,506 | ^~~~~~~ 2021-07-10T04:16:27,510 src/framework.c:6929:22: warning: unused variable ‘index_excluded’ [-Wunused-variable] 2021-07-10T04:16:27,510 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,510 | ^~~~~~~~~~~~~~ 2021-07-10T04:16:27,515 src/framework.c:6929:19: warning: unused variable ‘f1’ [-Wunused-variable] 2021-07-10T04:16:27,515 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,515 | ^~ 2021-07-10T04:16:27,519 src/framework.c:6929:17: warning: unused variable ‘n’ [-Wunused-variable] 2021-07-10T04:16:27,519 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,519 | ^ 2021-07-10T04:16:27,523 src/framework.c:6929:15: warning: unused variable ‘m’ [-Wunused-variable] 2021-07-10T04:16:27,524 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,524 | ^ 2021-07-10T04:16:27,528 src/framework.c:6929:13: warning: unused variable ‘l’ [-Wunused-variable] 2021-07-10T04:16:27,528 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,528 | ^ 2021-07-10T04:16:27,532 src/framework.c:6929:11: warning: unused variable ‘k’ [-Wunused-variable] 2021-07-10T04:16:27,532 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,533 | ^ 2021-07-10T04:16:27,550 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2021-07-10T04:16:27,555 src/framework.c:7308:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,555 7308 | int typeA,typeB,typeC,typeD; 2021-07-10T04:16:27,555 | ^~~~~ 2021-07-10T04:16:27,559 src/framework.c:7308:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,559 7308 | int typeA,typeB,typeC,typeD; 2021-07-10T04:16:27,560 | ^~~~~ 2021-07-10T04:16:27,564 src/framework.c:7308:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,564 7308 | int typeA,typeB,typeC,typeD; 2021-07-10T04:16:27,564 | ^~~~~ 2021-07-10T04:16:27,741 src/framework.c: In function ‘ReadFrameworkDefinition’: 2021-07-10T04:16:27,745 src/framework.c:7827:8: warning: unused variable ‘string’ [-Wunused-variable] 2021-07-10T04:16:27,746 7827 | char string[256]; 2021-07-10T04:16:27,746 | ^~~~~~ 2021-07-10T04:16:27,750 src/framework.c:7826:17: warning: unused variable ‘int_temp2’ [-Wunused-variable] 2021-07-10T04:16:27,751 7826 | int int_temp1,int_temp2; 2021-07-10T04:16:27,751 | ^~~~~~~~~ 2021-07-10T04:16:27,755 src/framework.c:7826:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2021-07-10T04:16:27,756 7826 | int int_temp1,int_temp2; 2021-07-10T04:16:27,756 | ^~~~~~~~~ 2021-07-10T04:16:27,760 src/framework.c:7814:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,761 7814 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-10T04:16:27,761 | ^~~~~~~~~~~~~~ 2021-07-10T04:16:27,782 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2021-07-10T04:16:27,790 src/framework.c:11201:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,790 11201 | int TypeA,TypeB; 2021-07-10T04:16:27,790 | ^~~~~ 2021-07-10T04:16:27,797 src/framework.c:11201:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:27,797 11201 | int TypeA,TypeB; 2021-07-10T04:16:27,797 | ^~~~~ 2021-07-10T04:16:31,376 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2021-07-10T04:16:31,379 src/framework.c:3050:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-10T04:16:31,379 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-10T04:16:31,379 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:31,379 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,379 from src/framework.c:32: 2021-07-10T04:16:31,380 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 33 or more bytes (assuming 288) into a destination of size 256 2021-07-10T04:16:31,380 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,380 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,380 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,380 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,501 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2021-07-10T04:16:31,504 src/framework.c:3463:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-10T04:16:31,504 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-10T04:16:31,505 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:31,505 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,505 from src/framework.c:32: 2021-07-10T04:16:31,505 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-10T04:16:31,505 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,505 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,505 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,505 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,507 src/framework.c:3530:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-10T04:16:31,508 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2021-07-10T04:16:31,508 | ^~~~ 2021-07-10T04:16:31,508 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,508 from src/framework.c:32: 2021-07-10T04:16:31,508 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 7 and 32 bytes into a destination of size 10 2021-07-10T04:16:31,508 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,508 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,509 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,509 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,511 src/framework.c:3502:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-10T04:16:31,511 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2021-07-10T04:16:31,511 | ^~~~ 2021-07-10T04:16:31,511 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,511 from src/framework.c:32: 2021-07-10T04:16:31,511 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 7 and 32 bytes into a destination of size 10 2021-07-10T04:16:31,512 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,512 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,512 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,512 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,683 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2021-07-10T04:16:31,686 src/framework.c:3596:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2021-07-10T04:16:31,686 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2021-07-10T04:16:31,686 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:31,687 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,687 from src/framework.c:32: 2021-07-10T04:16:31,687 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 31 or more bytes (assuming 286) into a destination of size 256 2021-07-10T04:16:31,687 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,687 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,687 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,687 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,690 src/framework.c:3603:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-10T04:16:31,690 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-10T04:16:31,690 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:31,690 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,690 from src/framework.c:32: 2021-07-10T04:16:31,691 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 33 or more bytes (assuming 288) into a destination of size 256 2021-07-10T04:16:31,691 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,691 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,691 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,691 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,693 src/framework.c:3617:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-10T04:16:31,693 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2021-07-10T04:16:31,693 | ^~~ 2021-07-10T04:16:31,693 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,693 from src/framework.c:32: 2021-07-10T04:16:31,693 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 10 2021-07-10T04:16:31,693 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,694 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,694 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,694 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,695 src/framework.c:3618:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-10T04:16:31,695 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2021-07-10T04:16:31,696 | ^~~ 2021-07-10T04:16:31,696 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,696 from src/framework.c:32: 2021-07-10T04:16:31,696 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 10 2021-07-10T04:16:31,696 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,696 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,696 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,696 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,873 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2021-07-10T04:16:31,876 src/framework.c:3672:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-10T04:16:31,876 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-10T04:16:31,876 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:31,877 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:31,877 from src/framework.c:32: 2021-07-10T04:16:31,877 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-10T04:16:31,877 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:31,877 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:31,877 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:31,877 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:32,140 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2021-07-10T04:16:32,144 src/framework.c:3808:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-10T04:16:32,144 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-10T04:16:32,144 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:32,144 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:32,144 from src/framework.c:32: 2021-07-10T04:16:32,145 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-10T04:16:32,145 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:32,145 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:32,145 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:32,145 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:32,289 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2021-07-10T04:16:32,292 src/framework.c:3915:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-10T04:16:32,292 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-10T04:16:32,293 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:32,293 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:32,293 from src/framework.c:32: 2021-07-10T04:16:32,293 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-10T04:16:32,293 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:32,293 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:32,293 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:32,293 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:32,295 src/framework.c:3925:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2021-07-10T04:16:32,295 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2021-07-10T04:16:32,295 | ^~~ 2021-07-10T04:16:32,296 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:32,296 from src/framework.c:32: 2021-07-10T04:16:32,296 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 4 and 32 bytes into a destination of size 10 2021-07-10T04:16:32,296 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:32,296 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:32,296 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:32,296 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:33,158 src/framework.c: In function ‘ReadIonSitingDefinition’: 2021-07-10T04:16:33,163 src/framework.c:4848:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2021-07-10T04:16:33,163 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2021-07-10T04:16:33,163 | ^~ ~~~~~~ 2021-07-10T04:16:33,163 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:33,164 from src/framework.c:32: 2021-07-10T04:16:33,164 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 6 and 261 bytes into a destination of size 256 2021-07-10T04:16:33,164 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:33,164 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:33,164 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:33,164 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:33,166 src/framework.c:4851:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2021-07-10T04:16:33,166 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2021-07-10T04:16:33,166 | ^~ 2021-07-10T04:16:33,167 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:33,167 from src/framework.c:32: 2021-07-10T04:16:33,167 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 35 or more bytes (assuming 290) into a destination of size 256 2021-07-10T04:16:33,167 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:33,167 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:33,167 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:33,167 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:39,517 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2021-07-10T04:16:39,518 src/framework.c:2102:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2021-07-10T04:16:39,518 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2021-07-10T04:16:39,519 | ^~ 2021-07-10T04:16:39,519 ...... 2021-07-10T04:16:39,519 2105 | FileNameAppend); 2021-07-10T04:16:39,519 | ~~~~~~~~~~~~~~ 2021-07-10T04:16:39,519 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:39,519 from src/framework.c:32: 2021-07-10T04:16:39,519 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 44 or more bytes (assuming 299) into a destination of size 256 2021-07-10T04:16:39,519 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:39,519 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:39,520 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:39,520 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:39,525 src/framework.c:2329:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2021-07-10T04:16:39,525 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2021-07-10T04:16:39,526 | ^~ 2021-07-10T04:16:39,526 ...... 2021-07-10T04:16:39,526 2332 | FileNameAppend); 2021-07-10T04:16:39,526 | ~~~~~~~~~~~~~~ 2021-07-10T04:16:39,526 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:39,526 from src/framework.c:32: 2021-07-10T04:16:39,526 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 42 or more bytes (assuming 297) into a destination of size 256 2021-07-10T04:16:39,526 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:39,527 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:39,527 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:39,527 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:39,532 src/framework.c:2548:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2021-07-10T04:16:39,532 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2021-07-10T04:16:39,533 | ^~ 2021-07-10T04:16:39,533 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2021-07-10T04:16:39,533 | ~~~~~~~~~~~~~~ 2021-07-10T04:16:39,533 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:39,533 from src/framework.c:32: 2021-07-10T04:16:39,533 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 39 or more bytes (assuming 294) into a destination of size 256 2021-07-10T04:16:39,533 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:39,534 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:39,534 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:39,534 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:42,178 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2021-07-10T04:16:42,182 src/framework.c:6650:78: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:16:42,182 6650 | Framework[CurrentSystem].BondArgumentDefinitions[index][j]=parameters[j]; 2021-07-10T04:16:42,182 | ~~~~~~~~~~^~~ 2021-07-10T04:16:42,186 src/framework.c:6576:7: warning: ‘NumberOfArguments’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:16:42,186 6576 | int NumberOfArguments; 2021-07-10T04:16:42,187 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:16:42,299 src/framework.c: In function ‘AddBendTypeToDefinitions’: 2021-07-10T04:16:42,302 src/framework.c:6732:78: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:16:42,303 6732 | Framework[CurrentSystem].BendArgumentDefinitions[index][j]=parameters[j]; 2021-07-10T04:16:42,303 | ~~~~~~~~~~^~~ 2021-07-10T04:16:42,413 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2021-07-10T04:16:42,417 src/framework.c:6823:81: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:16:42,417 6823 | Framework[CurrentSystem].TorsionArgumentDefinitions[index][j]=parameters[j]; 2021-07-10T04:16:42,417 | ~~~~~~~~~~^~~ 2021-07-10T04:16:42,538 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2021-07-10T04:16:42,542 src/framework.c:6914:89: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:16:42,542 6914 | Framework[CurrentSystem].ImproperTorsionArgumentDefinitions[index][j]=parameters[j]; 2021-07-10T04:16:42,542 | ~~~~~~~~~~^~~ 2021-07-10T04:16:45,600 src/framework.c: In function ‘ReadFrameworkDefinition’: 2021-07-10T04:16:45,605 src/framework.c:7846:48: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2021-07-10T04:16:45,606 7846 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2021-07-10T04:16:45,606 | ^~ 2021-07-10T04:16:45,606 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:45,606 from src/framework.c:32: 2021-07-10T04:16:45,606 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 38 or more bytes (assuming 293) into a destination of size 256 2021-07-10T04:16:45,606 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:45,606 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:45,607 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:45,607 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:45,611 src/framework.c:7851:50: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2021-07-10T04:16:45,611 7851 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2021-07-10T04:16:45,611 | ^~ 2021-07-10T04:16:45,611 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:45,611 from src/framework.c:32: 2021-07-10T04:16:45,611 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 38 or more bytes (assuming 293) into a destination of size 256 2021-07-10T04:16:45,611 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:45,612 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:45,612 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:45,612 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:53,634 src/framework.c: In function ‘WriteAsymmetricUnitCell’: 2021-07-10T04:16:53,646 src/framework.c:11857:42: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 224 and 234 [-Wformat-overflow=] 2021-07-10T04:16:53,646 11857 | sprintf(buffer,"framework_asymmetric_%d%s.cssr",sp,FileNameAppend); 2021-07-10T04:16:53,646 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:16:53,646 In file included from /usr/include/stdio.h:867, 2021-07-10T04:16:53,646 from src/framework.c:32: 2021-07-10T04:16:53,647 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 28 and 293 bytes into a destination of size 256 2021-07-10T04:16:53,647 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:16:53,647 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:53,647 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:16:53,647 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:16:57,163 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_born.c -o build/temp.linux-armv7l-3.9/src/framework_born.o 2021-07-10T04:16:57,368 src/framework_born.c: In function ‘CalculateFrameworkBendBornTerm’: 2021-07-10T04:16:57,370 src/framework_born.c:442:20: warning: variable ‘DF2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,370 442 | REAL DTDX,DF,DDF,DF2; 2021-07-10T04:16:57,370 | ^~~ 2021-07-10T04:16:57,370 src/framework_born.c:441:25: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,370 441 | VECTOR Rab,Rbc,Rac,fa,fb,fc; 2021-07-10T04:16:57,370 | ^~ 2021-07-10T04:16:57,376 src/framework_born.c: In function ‘CalculateFrameworkTorsionBornTerm’: 2021-07-10T04:16:57,376 src/framework_born.c:1009:11: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation] 2021-07-10T04:16:57,376 1009 | else 2021-07-10T04:16:57,376 | ^~~~ 2021-07-10T04:16:57,377 src/framework_born.c:1011:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’ 2021-07-10T04:16:57,377 1011 | DDF=-parms[0]*parms[1]*(parms[1]*cos(-parms[1]*Phi+parms[2])+sin(-parms[1]*Phi+parms[2])*CosPhi/SinPhi)/SQR(SinPhi); 2021-07-10T04:16:57,377 | ^~~ 2021-07-10T04:16:57,436 src/framework_born.c: In function ‘CalculateFrameworkIntraVDWBornTerm’: 2021-07-10T04:16:57,437 src/framework_born.c:2157:16: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,437 2157 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-10T04:16:57,437 | ^~~~~~~ 2021-07-10T04:16:57,438 src/framework_born.c:2157:8: warning: variable ‘chargeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,438 2157 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-10T04:16:57,438 | ^~~~~~~ 2021-07-10T04:16:57,441 src/framework_born.c: In function ‘CalculateFrameworkIntraChargeChargeBornTerm’: 2021-07-10T04:16:57,442 src/framework_born.c:2238:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,442 2238 | int i,j,typeA,typeB,start; 2021-07-10T04:16:57,442 | ^~~~~ 2021-07-10T04:16:57,443 src/framework_born.c:2238:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,443 2238 | int i,j,typeA,typeB,start; 2021-07-10T04:16:57,443 | ^~~~~ 2021-07-10T04:16:57,447 src/framework_born.c: In function ‘FrameworkAdsorbateChargeChargeBornTerm’: 2021-07-10T04:16:57,448 src/framework_born.c:2473:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,448 2473 | int typeA,typeB; 2021-07-10T04:16:57,448 | ^~~~~ 2021-07-10T04:16:57,449 src/framework_born.c:2473:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,449 2473 | int typeA,typeB; 2021-07-10T04:16:57,450 | ^~~~~ 2021-07-10T04:16:57,451 src/framework_born.c: In function ‘FrameworkCationChargeChargeBornTerm’: 2021-07-10T04:16:57,452 src/framework_born.c:2549:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,452 2549 | int typeA,typeB; 2021-07-10T04:16:57,452 | ^~~~~ 2021-07-10T04:16:57,453 src/framework_born.c:2549:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,453 2549 | int typeA,typeB; 2021-07-10T04:16:57,453 | ^~~~~ 2021-07-10T04:16:57,457 src/framework_born.c: In function ‘CalculateFrameworkIntraReplicaVDWBornTerm’: 2021-07-10T04:16:57,458 src/framework_born.c:2625:16: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,458 2625 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-10T04:16:57,459 | ^~~~~~~ 2021-07-10T04:16:57,459 src/framework_born.c:2625:8: warning: variable ‘chargeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,460 2625 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-10T04:16:57,460 | ^~~~~~~ 2021-07-10T04:16:57,464 src/framework_born.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeBornTerm’: 2021-07-10T04:16:57,465 src/framework_born.c:2742:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,465 2742 | int i,j,typeA,typeB,start; 2021-07-10T04:16:57,465 | ^~~~~ 2021-07-10T04:16:57,466 src/framework_born.c:2742:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,466 2742 | int i,j,typeA,typeB,start; 2021-07-10T04:16:57,466 | ^~~~~ 2021-07-10T04:16:57,471 src/framework_born.c: In function ‘FrameworkAdsorbateReplicaChargeChargeBornTerm’: 2021-07-10T04:16:57,472 src/framework_born.c:3041:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,473 3041 | REAL r,rr; 2021-07-10T04:16:57,473 | ^ 2021-07-10T04:16:57,474 src/framework_born.c:3039:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,474 3039 | int typeA,typeB; 2021-07-10T04:16:57,474 | ^~~~~ 2021-07-10T04:16:57,475 src/framework_born.c:3039:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,476 3039 | int typeA,typeB; 2021-07-10T04:16:57,476 | ^~~~~ 2021-07-10T04:16:57,477 src/framework_born.c: In function ‘FrameworkCationReplicaChargeChargeBornTerm’: 2021-07-10T04:16:57,478 src/framework_born.c:3128:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,479 3128 | int typeA,typeB; 2021-07-10T04:16:57,479 | ^~~~~ 2021-07-10T04:16:57,480 src/framework_born.c:3128:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:16:57,480 3128 | int typeA,typeB; 2021-07-10T04:16:57,481 | ^~~~~ 2021-07-10T04:17:09,347 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_energy.c -o build/temp.linux-armv7l-3.9/src/framework_energy.o 2021-07-10T04:17:09,533 src/framework_energy.c: In function ‘CalculateFrameworkChargeEnergyAtPosition’: 2021-07-10T04:17:09,533 src/framework_energy.c:171:9: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,533 171 | int i,typeB,f1,k; 2021-07-10T04:17:09,533 | ^~~~~ 2021-07-10T04:17:09,544 src/framework_energy.c: In function ‘CalculateFrameworkBendEnergy’: 2021-07-10T04:17:09,544 src/framework_energy.c:748:20: warning: variable ‘DTDX’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,544 748 | REAL rab,rbc,rac,DTDX,UHostBend; 2021-07-10T04:17:09,544 | ^~~~ 2021-07-10T04:17:09,544 src/framework_energy.c:747:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,544 747 | REAL CosTheta,Theta,SinTheta; 2021-07-10T04:17:09,545 | ^~~~~~~~ 2021-07-10T04:17:09,563 src/framework_energy.c: In function ‘CalculateFrameworkBondBendEnergy’: 2021-07-10T04:17:09,564 src/framework_energy.c:1645:19: warning: variable ‘sint’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,564 1645 | REAL cost,theta,sint; 2021-07-10T04:17:09,564 | ^~~~ 2021-07-10T04:17:09,566 src/framework_energy.c: In function ‘CalculateFrameworkBendBendEnergy’: 2021-07-10T04:17:09,567 src/framework_energy.c:1787:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,567 1787 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:17:09,567 | ^~~~~~~~~ 2021-07-10T04:17:09,568 src/framework_energy.c:1787:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,568 1787 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:17:09,568 | ^~~~~~~~~ 2021-07-10T04:17:09,570 src/framework_energy.c: In function ‘CalculateFrameworkBondTorsionEnergy’: 2021-07-10T04:17:09,571 src/framework_energy.c:1883:18: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,571 1883 | REAL U,rab,rbc,rcd; 2021-07-10T04:17:09,571 | ^~~ 2021-07-10T04:17:09,572 src/framework_energy.c:1883:10: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,572 1883 | REAL U,rab,rbc,rcd; 2021-07-10T04:17:09,573 | ^~~ 2021-07-10T04:17:09,577 src/framework_energy.c: In function ‘CalculateFrameworkBendTorsionEnergy’: 2021-07-10T04:17:09,578 src/framework_energy.c:1989:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,578 1989 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:17:09,578 | ^~~~~~~~~ 2021-07-10T04:17:09,579 src/framework_energy.c:1989:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,579 1989 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:17:09,579 | ^~~~~~~~~ 2021-07-10T04:17:09,584 src/framework_energy.c: In function ‘CalculateFrameworkIntraChargeChargeEnergy’: 2021-07-10T04:17:09,586 src/framework_energy.c:2268:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,586 2268 | REAL alpha; 2021-07-10T04:17:09,586 | ^~~~~ 2021-07-10T04:17:09,587 src/framework_energy.c:2262:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,587 2262 | int i,j,typeA,typeB; 2021-07-10T04:17:09,587 | ^~~~~ 2021-07-10T04:17:09,588 src/framework_energy.c:2262:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,588 2262 | int i,j,typeA,typeB; 2021-07-10T04:17:09,589 | ^~~~~ 2021-07-10T04:17:09,591 src/framework_energy.c: In function ‘CalculateFrameworkIntraChargeBondDipoleEnergy’: 2021-07-10T04:17:09,593 src/framework_energy.c:2388:8: warning: variable ‘Bt1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,593 2388 | REAL Bt1; 2021-07-10T04:17:09,593 | ^~~ 2021-07-10T04:17:09,597 src/framework_energy.c: In function ‘CalculateFrameworkIntraBondDipoleBondDipoleEnergy’: 2021-07-10T04:17:09,598 src/framework_energy.c:2506:8: warning: variable ‘Bt1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,598 2506 | REAL Bt1,Bt2; 2021-07-10T04:17:09,598 | ^~~ 2021-07-10T04:17:09,602 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergy’: 2021-07-10T04:17:09,604 src/framework_energy.c:2642:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,604 2642 | int typeA,typeB,type; 2021-07-10T04:17:09,604 | ^~~~ 2021-07-10T04:17:09,607 src/framework_energy.c: In function ‘CalculateFrameworkCationVDWEnergy’: 2021-07-10T04:17:09,609 src/framework_energy.c:2747:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,609 2747 | int typeA,typeB,type; 2021-07-10T04:17:09,609 | ^~~~ 2021-07-10T04:17:09,610 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergy’: 2021-07-10T04:17:09,612 src/framework_energy.c:2852:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,612 2852 | int typeA,typeB,type; 2021-07-10T04:17:09,612 | ^~~~ 2021-07-10T04:17:09,614 src/framework_energy.c:2852:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,614 2852 | int typeA,typeB,type; 2021-07-10T04:17:09,614 | ^~~~~ 2021-07-10T04:17:09,616 src/framework_energy.c: In function ‘CalculateFrameworkCationChargeChargeEnergy’: 2021-07-10T04:17:09,617 src/framework_energy.c:2908:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,617 2908 | int typeA,typeB,type; 2021-07-10T04:17:09,617 | ^~~~ 2021-07-10T04:17:09,619 src/framework_energy.c:2908:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,619 2908 | int typeA,typeB,type; 2021-07-10T04:17:09,619 | ^~~~~ 2021-07-10T04:17:09,622 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeBondDipoleEnergy’: 2021-07-10T04:17:09,624 src/framework_energy.c:2969:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,624 2969 | REAL Bt0,Bt1; 2021-07-10T04:17:09,624 | ^~~ 2021-07-10T04:17:09,627 src/framework_energy.c: In function ‘CalculateFrameworkCationChargeBondDipoleEnergy’: 2021-07-10T04:17:09,628 src/framework_energy.c:3079:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,628 3079 | REAL Bt0,Bt1; 2021-07-10T04:17:09,629 | ^~~ 2021-07-10T04:17:09,631 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateBondDipoleBondDipoleEnergy’: 2021-07-10T04:17:09,632 src/framework_energy.c:3188:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,633 3188 | REAL Bt0,Bt1,Bt2; 2021-07-10T04:17:09,633 | ^~~ 2021-07-10T04:17:09,635 src/framework_energy.c: In function ‘CalculateFrameworkCationBondDipoleBondDipoleEnergy’: 2021-07-10T04:17:09,637 src/framework_energy.c:3261:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,637 3261 | REAL Bt0,Bt1,Bt2; 2021-07-10T04:17:09,637 | ^~~ 2021-07-10T04:17:09,645 src/framework_energy.c: In function ‘CalculateFrameworkShiftEnergyDifferenceAdsorbateCharge’: 2021-07-10T04:17:09,646 src/framework_energy.c:3371:19: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,647 3371 | int i,j,m,typeA,typeB; 2021-07-10T04:17:09,647 | ^~~~~ 2021-07-10T04:17:09,648 src/framework_energy.c:3371:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,649 3371 | int i,j,m,typeA,typeB; 2021-07-10T04:17:09,649 | ^~~~~ 2021-07-10T04:17:09,657 src/framework_energy.c: In function ‘CalculateFrameworkShiftEnergyDifferenceCationCharge’: 2021-07-10T04:17:09,659 src/framework_energy.c:3607:19: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,659 3607 | int i,j,m,typeA,typeB; 2021-07-10T04:17:09,659 | ^~~~~ 2021-07-10T04:17:09,661 src/framework_energy.c:3607:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,661 3607 | int i,j,m,typeA,typeB; 2021-07-10T04:17:09,661 | ^~~~~ 2021-07-10T04:17:09,676 src/framework_energy.c: In function ‘CalculateEnergyDifferenceFrameworkMoveCharge’: 2021-07-10T04:17:09,678 src/framework_energy.c:3886:20: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,678 3886 | int i,j,f1,typeA,typeB; 2021-07-10T04:17:09,678 | ^~~~~ 2021-07-10T04:17:09,680 src/framework_energy.c:3886:14: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,681 3886 | int i,j,f1,typeA,typeB; 2021-07-10T04:17:09,681 | ^~~~~ 2021-07-10T04:17:09,695 src/framework_energy.c: In function ‘CalculateFrameworkIntraReplicaVDWEnergy’: 2021-07-10T04:17:09,698 src/framework_energy.c:4390:8: warning: unused variable ‘r’ [-Wunused-variable] 2021-07-10T04:17:09,698 4390 | REAL r; 2021-07-10T04:17:09,698 | ^ 2021-07-10T04:17:09,702 src/framework_energy.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeEnergy’: 2021-07-10T04:17:09,704 src/framework_energy.c:4483:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,704 4483 | REAL alpha; 2021-07-10T04:17:09,705 | ^~~~~ 2021-07-10T04:17:09,707 src/framework_energy.c:4477:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,707 4477 | int i,j,typeA,typeB,start; 2021-07-10T04:17:09,707 | ^~~~~ 2021-07-10T04:17:09,709 src/framework_energy.c:4477:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,710 4477 | int i,j,typeA,typeB,start; 2021-07-10T04:17:09,710 | ^~~~~ 2021-07-10T04:17:09,711 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaVDWEnergy’: 2021-07-10T04:17:09,713 src/framework_energy.c:4576:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,713 4576 | int typeA,typeB,type; 2021-07-10T04:17:09,713 | ^~~~ 2021-07-10T04:17:09,714 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaVDWEnergy’: 2021-07-10T04:17:09,716 src/framework_energy.c:4626:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,716 4626 | int typeA,typeB,type; 2021-07-10T04:17:09,717 | ^~~~ 2021-07-10T04:17:09,718 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeEnergy’: 2021-07-10T04:17:09,721 src/framework_energy.c:4676:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,721 4676 | int typeA,typeB,type; 2021-07-10T04:17:09,721 | ^~~~ 2021-07-10T04:17:09,724 src/framework_energy.c:4676:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,724 4676 | int typeA,typeB,type; 2021-07-10T04:17:09,724 | ^~~~~ 2021-07-10T04:17:09,726 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaChargeChargeEnergy’: 2021-07-10T04:17:09,729 src/framework_energy.c:4737:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,729 4737 | int typeA,typeB,type; 2021-07-10T04:17:09,729 | ^~~~ 2021-07-10T04:17:09,731 src/framework_energy.c:4737:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,732 4737 | int typeA,typeB,type; 2021-07-10T04:17:09,732 | ^~~~~ 2021-07-10T04:17:09,801 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceRXCM’: 2021-07-10T04:17:09,805 src/framework_energy.c:6844:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2021-07-10T04:17:09,805 6844 | int ncell; 2021-07-10T04:17:09,805 | ^~~~~ 2021-07-10T04:17:09,809 src/framework_energy.c:6843:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2021-07-10T04:17:09,809 6843 | int TypeMolA,TypeMolB; 2021-07-10T04:17:09,809 | ^~~~~~~~ 2021-07-10T04:17:09,814 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceNewRXCM’: 2021-07-10T04:17:09,818 src/framework_energy.c:6965:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,819 6965 | int RXMCMoleculeNumbers[256]; 2021-07-10T04:17:09,819 | ^~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:09,823 src/framework_energy.c:6963:8: warning: unused variable ‘scalingB_new’ [-Wunused-variable] 2021-07-10T04:17:09,823 6963 | REAL scalingB_new; 2021-07-10T04:17:09,823 | ^~~~~~~~~~~~ 2021-07-10T04:17:09,827 src/framework_energy.c:6962:21: warning: unused variable ‘scalingB’ [-Wunused-variable] 2021-07-10T04:17:09,827 6962 | REAL scalingA_new,scalingB; 2021-07-10T04:17:09,827 | ^~~~~~~~ 2021-07-10T04:17:09,831 src/framework_energy.c:6959:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2021-07-10T04:17:09,831 6959 | int TypeMolA,TypeMolB; 2021-07-10T04:17:09,831 | ^~~~~~~~ 2021-07-10T04:17:09,835 src/framework_energy.c:6957:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2021-07-10T04:17:09,835 6957 | int indexA,indexB; 2021-07-10T04:17:09,835 | ^~~~~~ 2021-07-10T04:17:09,839 src/framework_energy.c:6957:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2021-07-10T04:17:09,839 6957 | int indexA,indexB; 2021-07-10T04:17:09,839 | ^~~~~~ 2021-07-10T04:17:09,849 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceRXCM’: 2021-07-10T04:17:09,854 src/framework_energy.c:7047:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2021-07-10T04:17:09,854 7047 | int ncell; 2021-07-10T04:17:09,854 | ^~~~~ 2021-07-10T04:17:09,858 src/framework_energy.c:7046:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2021-07-10T04:17:09,858 7046 | int TypeMolA,TypeMolB; 2021-07-10T04:17:09,858 | ^~~~~~~~ 2021-07-10T04:17:09,862 src/framework_energy.c:7043:13: warning: unused variable ‘typeB’ [-Wunused-variable] 2021-07-10T04:17:09,862 7043 | int typeA,typeB; 2021-07-10T04:17:09,862 | ^~~~~ 2021-07-10T04:17:09,866 src/framework_energy.c:7043:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2021-07-10T04:17:09,866 7043 | int typeA,typeB; 2021-07-10T04:17:09,866 | ^~~~~ 2021-07-10T04:17:09,872 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceNewRXCM’: 2021-07-10T04:17:09,876 src/framework_energy.c:7171:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,876 7171 | int RXMCMoleculeNumbers[256]; 2021-07-10T04:17:09,876 | ^~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:09,880 src/framework_energy.c:7169:8: warning: unused variable ‘scalingB_new’ [-Wunused-variable] 2021-07-10T04:17:09,880 7169 | REAL scalingB_new; 2021-07-10T04:17:09,880 | ^~~~~~~~~~~~ 2021-07-10T04:17:09,884 src/framework_energy.c:7168:21: warning: unused variable ‘scalingB’ [-Wunused-variable] 2021-07-10T04:17:09,884 7168 | REAL scalingA_new,scalingB; 2021-07-10T04:17:09,885 | ^~~~~~~~ 2021-07-10T04:17:09,889 src/framework_energy.c:7165:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2021-07-10T04:17:09,889 7165 | int TypeMolA,TypeMolB; 2021-07-10T04:17:09,889 | ^~~~~~~~ 2021-07-10T04:17:09,893 src/framework_energy.c:7164:13: warning: unused variable ‘typeB’ [-Wunused-variable] 2021-07-10T04:17:09,893 7164 | int typeA,typeB; 2021-07-10T04:17:09,893 | ^~~~~ 2021-07-10T04:17:09,897 src/framework_energy.c:7164:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2021-07-10T04:17:09,897 7164 | int typeA,typeB; 2021-07-10T04:17:09,897 | ^~~~~ 2021-07-10T04:17:09,901 src/framework_energy.c:7163:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2021-07-10T04:17:09,901 7163 | int indexA,indexB; 2021-07-10T04:17:09,901 | ^~~~~~ 2021-07-10T04:17:09,905 src/framework_energy.c:7163:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2021-07-10T04:17:09,906 7163 | int indexA,indexB; 2021-07-10T04:17:09,906 | ^~~~~~ 2021-07-10T04:17:09,906 src/framework_energy.c: In function ‘CalculateFrameworkElectrostaticPotential’: 2021-07-10T04:17:09,910 src/framework_energy.c:7249:9: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:09,910 7249 | int i,typeB,f; 2021-07-10T04:17:09,910 | ^~~~~ 2021-07-10T04:17:10,065 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceRXCM’: 2021-07-10T04:17:10,069 src/framework_energy.c:6952:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:17:10,069 6952 | } 2021-07-10T04:17:10,070 | ^ 2021-07-10T04:17:10,071 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceNewRXCM’: 2021-07-10T04:17:10,074 src/framework_energy.c:7038:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:17:10,075 7038 | } 2021-07-10T04:17:10,075 | ^ 2021-07-10T04:17:10,077 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceRXCM’: 2021-07-10T04:17:10,081 src/framework_energy.c:7158:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:17:10,081 7158 | } 2021-07-10T04:17:10,081 | ^ 2021-07-10T04:17:10,082 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceNewRXCM’: 2021-07-10T04:17:10,086 src/framework_energy.c:7244:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:17:10,086 7244 | } 2021-07-10T04:17:10,086 | ^ 2021-07-10T04:17:16,896 src/framework_energy.c: In function ‘CalculateEnergyDifferenceFrameworkMoveCharge’: 2021-07-10T04:17:16,898 src/framework_energy.c:3930:58: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:16,898 3930 | UHostChargeChargeRealDelta[CurrentSystem]+=PotentialValueCoulombic(chargeA,chargeB,r); 2021-07-10T04:17:16,898 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:17,464 src/framework_energy.c: In function ‘CalculateFrameworkEnergyDifferenceShiftedFramework’: 2021-07-10T04:17:17,466 src/framework_energy.c:4222:56: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:17,466 4222 | UHostChargeChargeRealDelta[CurrentSystem]+=PotentialValueCoulombic(chargeA,chargeB,r); 2021-07-10T04:17:17,466 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:18,335 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeEnergy’: 2021-07-10T04:17:18,338 src/framework_energy.c:4720:24: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:18,338 4720 | energy=PotentialValueCoulombic(chargeA,chargeB,r); 2021-07-10T04:17:18,338 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:18,445 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaChargeChargeEnergy’: 2021-07-10T04:17:18,448 src/framework_energy.c:4781:24: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:18,448 4781 | energy=PotentialValueCoulombic(chargeA,chargeB,r); 2021-07-10T04:17:18,448 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,464 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateBondDipoleBondDipoleEnergyDifference’: 2021-07-10T04:17:21,467 src/framework_energy.c:6400:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,468 6400 | REAL r; 2021-07-10T04:17:21,468 | ^ 2021-07-10T04:17:21,472 src/framework_energy.c:6494:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,472 6494 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:17:21,472 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,475 src/framework_energy.c:6493:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,476 6493 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:17:21,476 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,479 src/framework_energy.c:6492:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,479 6492 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:17:21,480 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,483 src/framework_energy.c:6484:30: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,483 6484 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:17:21,483 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,487 src/framework_energy.c:6483:30: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,487 6483 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:17:21,487 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,490 src/framework_energy.c:6485:30: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,490 6485 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:17:21,491 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,855 src/framework_energy.c: In function ‘CalculateFrameworkCationBondDipoleBondDipoleEnergyDifference’: 2021-07-10T04:17:21,858 src/framework_energy.c:6631:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,858 6631 | REAL r; 2021-07-10T04:17:21,858 | ^ 2021-07-10T04:17:21,862 src/framework_energy.c:6725:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,862 6725 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:17:21,862 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,866 src/framework_energy.c:6724:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,866 6724 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:17:21,866 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,870 src/framework_energy.c:6723:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,870 6723 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:17:21,870 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,874 src/framework_energy.c:6715:30: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,874 6715 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:17:21,874 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,878 src/framework_energy.c:6714:30: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,878 6714 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:17:21,878 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:21,882 src/framework_energy.c:6716:30: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:17:21,882 6716 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:17:21,882 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:17:23,864 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_force.c -o build/temp.linux-armv7l-3.9/src/framework_force.o 2021-07-10T04:17:24,072 src/framework_force.c: In function ‘CalculateFrameworkBendForce’: 2021-07-10T04:17:24,074 src/framework_force.c:531:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,074 531 | REAL CosTheta,Theta,SinTheta; 2021-07-10T04:17:24,075 | ^~~~~~~~ 2021-07-10T04:17:24,080 src/framework_force.c: In function ‘CalculateFrameworkInversionBendForce’: 2021-07-10T04:17:24,080 src/framework_force.c:894:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,080 894 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-10T04:17:24,080 | ^~~~ 2021-07-10T04:17:24,105 src/framework_force.c: In function ‘CalculateFrameworkBondBendForce’: 2021-07-10T04:17:24,106 src/framework_force.c:1883:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,106 1883 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2021-07-10T04:17:24,106 | ^~~~~ 2021-07-10T04:17:24,112 src/framework_force.c: In function ‘CalculateFrameworkBendBendForce’: 2021-07-10T04:17:24,113 src/framework_force.c:2085:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,113 2085 | VECTOR fa,fb,fc,fd; 2021-07-10T04:17:24,113 | ^~ 2021-07-10T04:17:24,151 src/framework_force.c: In function ‘CalculateFrameworkIntraChargeChargeForce’: 2021-07-10T04:17:24,153 src/framework_force.c:3447:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,153 3447 | REAL alpha; 2021-07-10T04:17:24,153 | ^~~~~ 2021-07-10T04:17:24,155 src/framework_force.c:3441:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,155 3441 | int i,j,typeA,typeB; 2021-07-10T04:17:24,155 | ^~~~~ 2021-07-10T04:17:24,156 src/framework_force.c:3441:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,156 3441 | int i,j,typeA,typeB; 2021-07-10T04:17:24,156 | ^~~~~ 2021-07-10T04:17:24,192 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateChargeChargeForce’: 2021-07-10T04:17:24,194 src/framework_force.c:4788:7: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,194 4788 | int TypeMolA; 2021-07-10T04:17:24,195 | ^~~~~~~~ 2021-07-10T04:17:24,197 src/framework_force.c:4783:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,197 4783 | int typeA,typeB; 2021-07-10T04:17:24,197 | ^~~~~ 2021-07-10T04:17:24,200 src/framework_force.c: In function ‘CalculateFrameworkCationChargeChargeForce’: 2021-07-10T04:17:24,202 src/framework_force.c:4879:7: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,202 4879 | int TypeMolA; 2021-07-10T04:17:24,202 | ^~~~~~~~ 2021-07-10T04:17:24,205 src/framework_force.c:4874:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,205 4874 | int typeA,typeB; 2021-07-10T04:17:24,205 | ^~~~~ 2021-07-10T04:17:24,229 src/framework_force.c: In function ‘CalculateFrameworkChargeChargeElectricFieldMC’: 2021-07-10T04:17:24,232 src/framework_force.c:5613:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,232 5613 | int typeA,typeB; 2021-07-10T04:17:24,232 | ^~~~~ 2021-07-10T04:17:24,234 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateElectricFieldFromInducedDipole’: 2021-07-10T04:17:24,237 src/framework_force.c:5770:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,237 5770 | int TypeB; 2021-07-10T04:17:24,237 | ^~~~~ 2021-07-10T04:17:24,239 src/framework_force.c: In function ‘CalculateFrameworkCationElectricFieldFromInducedDipole’: 2021-07-10T04:17:24,242 src/framework_force.c:5824:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,242 5824 | int TypeB; 2021-07-10T04:17:24,243 | ^~~~~ 2021-07-10T04:17:24,246 src/framework_force.c: In function ‘CalculateFrameworkMoleculeElectricFieldFromInducedDipoleMC’: 2021-07-10T04:17:24,249 src/framework_force.c:5878:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,249 5878 | int TypeB; 2021-07-10T04:17:24,249 | ^~~~~ 2021-07-10T04:17:24,253 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateChargeInducedDipoleForce’: 2021-07-10T04:17:24,256 src/framework_force.c:6015:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,256 6015 | REAL r,rr,chargeB; 2021-07-10T04:17:24,256 | ^ 2021-07-10T04:17:24,259 src/framework_force.c:6013:12: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,259 6013 | int Type,TypeA; 2021-07-10T04:17:24,259 | ^~~~~ 2021-07-10T04:17:24,262 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateInducedDipoleInducedDipoleForce’: 2021-07-10T04:17:24,266 src/framework_force.c:6115:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,266 6115 | int TypeB; 2021-07-10T04:17:24,266 | ^~~~~ 2021-07-10T04:17:24,281 src/framework_force.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeForce’: 2021-07-10T04:17:24,284 src/framework_force.c:6370:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,285 6370 | REAL alpha,r; 2021-07-10T04:17:24,285 | ^~~~~ 2021-07-10T04:17:24,288 src/framework_force.c:6363:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,288 6363 | int i,j,typeA,typeB,start; 2021-07-10T04:17:24,288 | ^~~~~ 2021-07-10T04:17:24,291 src/framework_force.c:6363:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,292 6363 | int i,j,typeA,typeB,start; 2021-07-10T04:17:24,292 | ^~~~~ 2021-07-10T04:17:24,294 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateReplicaVDWForce’: 2021-07-10T04:17:24,297 src/framework_force.c:6545:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,297 6545 | int typeA,typeB,type; 2021-07-10T04:17:24,298 | ^~~~ 2021-07-10T04:17:24,300 src/framework_force.c: In function ‘CalculateFrameworkCationReplicaVDWForce’: 2021-07-10T04:17:24,303 src/framework_force.c:6664:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,303 6664 | int typeA,typeB,type; 2021-07-10T04:17:24,303 | ^~~~ 2021-07-10T04:17:24,307 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeForce’: 2021-07-10T04:17:24,311 src/framework_force.c:6783:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,311 6783 | int typeA,typeB,type; 2021-07-10T04:17:24,311 | ^~~~ 2021-07-10T04:17:24,314 src/framework_force.c:6783:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,315 6783 | int typeA,typeB,type; 2021-07-10T04:17:24,315 | ^~~~~ 2021-07-10T04:17:24,321 src/framework_force.c: In function ‘CalculateFrameworkCationReplicaChargeChargeForce’: 2021-07-10T04:17:24,325 src/framework_force.c:6905:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,325 6905 | int typeA,typeB,type; 2021-07-10T04:17:24,325 | ^~~~ 2021-07-10T04:17:24,328 src/framework_force.c:6905:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:24,329 6905 | int typeA,typeB,type; 2021-07-10T04:17:24,329 | ^~~~~ 2021-07-10T04:17:39,990 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_hessian.c -o build/temp.linux-armv7l-3.9/src/framework_hessian.o 2021-07-10T04:17:40,195 src/framework_hessian.c: In function ‘CalculateDerivativesAtPositionReal’: 2021-07-10T04:17:40,196 src/framework_hessian.c:108:7: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,196 108 | int typeB; 2021-07-10T04:17:40,196 | ^~~~~ 2021-07-10T04:17:40,406 src/framework_hessian.c: In function ‘ComputeFrameworkAdsorbateVDWHessian’: 2021-07-10T04:17:40,407 src/framework_hessian.c:2133:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,407 2133 | REAL r,temp1,temp2,temp3; 2021-07-10T04:17:40,407 | ^ 2021-07-10T04:17:40,409 src/framework_hessian.c:2132:10: warning: variable ‘pos’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,409 2132 | VECTOR pos,comB; 2021-07-10T04:17:40,409 | ^~~ 2021-07-10T04:17:40,410 src/framework_hessian.c:2131:16: warning: variable ‘ChargeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,410 2131 | REAL ChargeA,ChargeB; 2021-07-10T04:17:40,410 | ^~~~~~~ 2021-07-10T04:17:40,411 src/framework_hessian.c:2131:8: warning: variable ‘ChargeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,411 2131 | REAL ChargeA,ChargeB; 2021-07-10T04:17:40,412 | ^~~~~~~ 2021-07-10T04:17:40,421 src/framework_hessian.c: In function ‘ComputeFrameworkAdsorbateChargeChargeHessian’: 2021-07-10T04:17:40,422 src/framework_hessian.c:2310:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,422 2310 | REAL r,temp1,temp2,temp3; 2021-07-10T04:17:40,423 | ^ 2021-07-10T04:17:40,424 src/framework_hessian.c:2301:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,424 2301 | int typeA,typeB; 2021-07-10T04:17:40,424 | ^~~~~ 2021-07-10T04:17:40,425 src/framework_hessian.c:2301:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,425 2301 | int typeA,typeB; 2021-07-10T04:17:40,426 | ^~~~~ 2021-07-10T04:17:40,432 src/framework_hessian.c: In function ‘ComputeFrameworkCationVDWHessian’: 2021-07-10T04:17:40,434 src/framework_hessian.c:2494:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,434 2494 | REAL r,temp1,temp2,temp3; 2021-07-10T04:17:40,434 | ^ 2021-07-10T04:17:40,436 src/framework_hessian.c:2493:10: warning: variable ‘pos’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,436 2493 | VECTOR pos,comB; 2021-07-10T04:17:40,436 | ^~~ 2021-07-10T04:17:40,437 src/framework_hessian.c:2492:16: warning: variable ‘ChargeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,437 2492 | REAL ChargeA,ChargeB; 2021-07-10T04:17:40,437 | ^~~~~~~ 2021-07-10T04:17:40,439 src/framework_hessian.c:2492:8: warning: variable ‘ChargeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,439 2492 | REAL ChargeA,ChargeB; 2021-07-10T04:17:40,439 | ^~~~~~~ 2021-07-10T04:17:40,446 src/framework_hessian.c: In function ‘ComputeFrameworkCationChargeChargeHessian’: 2021-07-10T04:17:40,448 src/framework_hessian.c:2669:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,448 2669 | REAL r,temp1,temp2,temp3; 2021-07-10T04:17:40,448 | ^ 2021-07-10T04:17:40,450 src/framework_hessian.c:2660:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,450 2660 | int typeA,typeB; 2021-07-10T04:17:40,450 | ^~~~~ 2021-07-10T04:17:40,451 src/framework_hessian.c:2660:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,452 2660 | int typeA,typeB; 2021-07-10T04:17:40,452 | ^~~~~ 2021-07-10T04:17:40,477 src/framework_hessian.c: In function ‘ComputeFrameworkIntraChargeChargeHessian’: 2021-07-10T04:17:40,479 src/framework_hessian.c:3011:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,479 3011 | int i,j,typeA,typeB,f1,f2,start; 2021-07-10T04:17:40,479 | ^~~~~ 2021-07-10T04:17:40,481 src/framework_hessian.c:3011:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,481 3011 | int i,j,typeA,typeB,f1,f2,start; 2021-07-10T04:17:40,481 | ^~~~~ 2021-07-10T04:17:40,923 src/framework_hessian.c: In function ‘CalculateFrameworkInversionBendForces’: 2021-07-10T04:17:40,926 src/framework_hessian.c:5520:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:17:40,926 5520 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-10T04:17:40,926 | ^~~~ 2021-07-10T04:18:07,587 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/grids.c -o build/temp.linux-armv7l-3.9/src/grids.o 2021-07-10T04:18:07,793 src/grids.c: In function ‘MakeASCIGrid’: 2021-07-10T04:18:07,793 src/grids.c:295:23: warning: variable ‘TailEnergy’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:07,794 295 | REAL percent,teller,TailEnergy; 2021-07-10T04:18:07,794 | ^~~~~~~~~~ 2021-07-10T04:18:07,794 src/grids.c:294:21: warning: variable ‘save’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:07,794 294 | int i,j,k,l,typeA,save; 2021-07-10T04:18:07,794 | ^~~~ 2021-07-10T04:18:07,802 src/grids.c: In function ‘MakeGrid’: 2021-07-10T04:18:07,802 src/grids.c:427:23: warning: variable ‘TailEnergy’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:07,802 427 | REAL percent,teller,TailEnergy; 2021-07-10T04:18:07,802 | ^~~~~~~~~~ 2021-07-10T04:18:07,803 src/grids.c:426:15: warning: variable ‘tel2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:07,803 426 | int i,j,k,l,tel2,typeA,save; 2021-07-10T04:18:07,803 | ^~~~ 2021-07-10T04:18:07,804 src/grids.c: In function ‘WriteVDWGrid’: 2021-07-10T04:18:07,804 src/grids.c:688:7: warning: variable ‘ngrid’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:07,805 688 | int ngrid; 2021-07-10T04:18:07,805 | ^~~~~ 2021-07-10T04:18:07,809 src/grids.c: In function ‘WriteCoulombGrid’: 2021-07-10T04:18:07,809 src/grids.c:810:15: warning: variable ‘max_size’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:07,809 810 | int i,j,k,m,max_size; 2021-07-10T04:18:07,809 | ^~~~~~~~ 2021-07-10T04:18:07,865 src/grids.c: In function ‘FloodFillNonRecursivePockets’: 2021-07-10T04:18:07,866 src/grids.c:1956:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:07,866 1956 | REAL r; 2021-07-10T04:18:07,866 | ^ 2021-07-10T04:18:08,336 src/grids.c: In function ‘ReadCoulombGrid.part.0’: 2021-07-10T04:18:08,337 src/grids.c:895:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,337 895 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2021-07-10T04:18:08,337 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,337 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,337 from src/grids.c:29: 2021-07-10T04:18:08,338 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 20 or more bytes (assuming 275) into a destination of size 256 2021-07-10T04:18:08,338 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,338 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,338 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,338 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,338 src/grids.c:896:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,338 896 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-10T04:18:08,338 | ^~ 2021-07-10T04:18:08,339 897 | RASPA_DIRECTORY, 2021-07-10T04:18:08,339 898 | ForceField, 2021-07-10T04:18:08,339 | ~~~~~~~~~~ 2021-07-10T04:18:08,339 src/grids.c:896:18: note: assuming directive output of 8 bytes 2021-07-10T04:18:08,339 896 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-10T04:18:08,339 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,339 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,339 from src/grids.c:29: 2021-07-10T04:18:08,340 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 53 or more bytes (assuming 313) into a destination of size 256 2021-07-10T04:18:08,340 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,340 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,340 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,340 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,700 src/grids.c: In function ‘WriteVDWGrid’: 2021-07-10T04:18:08,700 src/grids.c:702:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,700 702 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2021-07-10T04:18:08,700 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,700 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,700 from src/grids.c:29: 2021-07-10T04:18:08,701 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 20 or more bytes (assuming 275) into a destination of size 256 2021-07-10T04:18:08,701 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,701 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,701 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,701 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,701 src/grids.c:704:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,701 704 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2021-07-10T04:18:08,701 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,702 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,702 from src/grids.c:29: 2021-07-10T04:18:08,702 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 21 or more bytes (assuming 276) into a destination of size 256 2021-07-10T04:18:08,702 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,702 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,702 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,702 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,702 src/grids.c:706:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,702 706 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-10T04:18:08,703 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,703 src/grids.c:706:18: note: assuming directive output of 8 bytes 2021-07-10T04:18:08,703 706 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-10T04:18:08,703 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,703 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,703 from src/grids.c:29: 2021-07-10T04:18:08,704 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 25 or more bytes (assuming 285) into a destination of size 256 2021-07-10T04:18:08,704 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,704 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,704 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,704 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,704 src/grids.c:709:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,704 709 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-10T04:18:08,704 | ^~ 2021-07-10T04:18:08,705 710 | RASPA_DIRECTORY, 2021-07-10T04:18:08,705 711 | ForceField, 2021-07-10T04:18:08,705 | ~~~~~~~~~~ 2021-07-10T04:18:08,705 src/grids.c:709:18: note: assuming directive output of 8 bytes 2021-07-10T04:18:08,705 709 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-10T04:18:08,705 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,705 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,705 from src/grids.c:29: 2021-07-10T04:18:08,705 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 40 or more bytes (assuming 333) into a destination of size 256 2021-07-10T04:18:08,706 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,706 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,706 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,706 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,799 src/grids.c: In function ‘ReadVDWGrid’: 2021-07-10T04:18:08,800 src/grids.c:754:42: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,800 754 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-10T04:18:08,800 | ^~ 2021-07-10T04:18:08,800 755 | RASPA_DIRECTORY, 2021-07-10T04:18:08,800 756 | ForceField, 2021-07-10T04:18:08,800 | ~~~~~~~~~~ 2021-07-10T04:18:08,801 src/grids.c:754:20: note: assuming directive output of 8 bytes 2021-07-10T04:18:08,801 754 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-10T04:18:08,801 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,801 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,801 from src/grids.c:29: 2021-07-10T04:18:08,801 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 40 or more bytes (assuming 333) into a destination of size 256 2021-07-10T04:18:08,801 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,802 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,802 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,802 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,915 src/grids.c: In function ‘WriteCoulombGrid’: 2021-07-10T04:18:08,916 src/grids.c:828:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,916 828 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2021-07-10T04:18:08,916 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,916 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,916 from src/grids.c:29: 2021-07-10T04:18:08,916 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 20 or more bytes (assuming 275) into a destination of size 256 2021-07-10T04:18:08,917 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,917 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,917 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,917 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,917 src/grids.c:830:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,917 830 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2021-07-10T04:18:08,917 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,917 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,917 from src/grids.c:29: 2021-07-10T04:18:08,918 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 21 or more bytes (assuming 276) into a destination of size 256 2021-07-10T04:18:08,918 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,918 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,918 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,918 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,918 src/grids.c:832:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,918 832 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-10T04:18:08,918 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,919 src/grids.c:832:18: note: assuming directive output of 8 bytes 2021-07-10T04:18:08,919 832 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-10T04:18:08,919 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,919 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,919 from src/grids.c:29: 2021-07-10T04:18:08,919 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 25 or more bytes (assuming 285) into a destination of size 256 2021-07-10T04:18:08,919 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,919 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,919 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,920 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,920 src/grids.c:835:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,920 835 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d",RASPA_DIRECTORY,ForceField, 2021-07-10T04:18:08,920 | ^~ ~~~~~~~~~~ 2021-07-10T04:18:08,920 src/grids.c:835:18: note: assuming directive output of 8 bytes 2021-07-10T04:18:08,920 835 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d",RASPA_DIRECTORY,ForceField, 2021-07-10T04:18:08,920 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,920 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,921 from src/grids.c:29: 2021-07-10T04:18:08,921 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 31 or more bytes (assuming 291) into a destination of size 256 2021-07-10T04:18:08,921 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,921 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,921 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,921 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,921 src/grids.c:839:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-10T04:18:08,921 839 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-10T04:18:08,922 | ^~ 2021-07-10T04:18:08,922 840 | RASPA_DIRECTORY, 2021-07-10T04:18:08,922 841 | ForceField, 2021-07-10T04:18:08,922 | ~~~~~~~~~~ 2021-07-10T04:18:08,922 src/grids.c:839:18: note: assuming directive output of 8 bytes 2021-07-10T04:18:08,922 839 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-10T04:18:08,922 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,922 In file included from /usr/include/stdio.h:867, 2021-07-10T04:18:08,923 from src/grids.c:29: 2021-07-10T04:18:08,923 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 53 or more bytes (assuming 313) into a destination of size 256 2021-07-10T04:18:08,923 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:18:08,923 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:08,923 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:18:08,923 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:18:14,363 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/input.c -o build/temp.linux-armv7l-3.9/src/input.o 2021-07-10T04:18:15,427 src/input.c: In function ‘ReadInput’: 2021-07-10T04:18:15,427 src/input.c:214:7: warning: unused variable ‘linesize’ [-Wunused-variable] 2021-07-10T04:18:15,427 214 | int linesize = 0; 2021-07-10T04:18:15,427 | ^~~~~~~~ 2021-07-10T04:18:15,446 src/input.c: In function ‘ReadRestartFile’: 2021-07-10T04:18:15,451 src/input.c:8322:7: warning: variable ‘extra_framework_boolean’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:18:15,451 8322 | int extra_framework_boolean; 2021-07-10T04:18:15,451 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:26,195 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/integrate.c -o build/temp.linux-armv7l-3.9/src/integrate.o 2021-07-10T04:19:26,618 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/integration.c -o build/temp.linux-armv7l-3.9/src/integration.o 2021-07-10T04:19:26,854 src/integration.c: In function ‘IntegrationLeapFrogAtomicVelocities’: 2021-07-10T04:19:26,856 src/integration.c:2088:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:26,856 2088 | int Type; 2021-07-10T04:19:26,856 | ^~~~ 2021-07-10T04:19:26,860 src/integration.c: In function ‘IntegrationLeapFrogAtomicPositionsAndQuaternions’: 2021-07-10T04:19:26,861 src/integration.c:2138:8: warning: variable ‘Mass’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:26,861 2138 | REAL Mass,eps,rnorm; 2021-07-10T04:19:26,861 | ^~~~ 2021-07-10T04:19:32,477 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_born.c -o build/temp.linux-armv7l-3.9/src/inter_born.o 2021-07-10T04:19:32,706 src/inter_born.c: In function ‘ComputeInterChargeChargeBornTerm’: 2021-07-10T04:19:32,706 src/inter_born.c:437:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:32,706 437 | int typeA,typeB; 2021-07-10T04:19:32,706 | ^~~~~ 2021-07-10T04:19:32,706 src/inter_born.c:437:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:32,707 437 | int typeA,typeB; 2021-07-10T04:19:32,708 | ^~~~~ 2021-07-10T04:19:37,154 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_energy.c -o build/temp.linux-armv7l-3.9/src/inter_energy.o 2021-07-10T04:19:37,344 src/inter_energy.c: In function ‘CalculateInterChargeChargeSelfEnergyCorrectionAdsorbateOld’: 2021-07-10T04:19:37,345 src/inter_energy.c:220:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,345 220 | int typeA,typeB; 2021-07-10T04:19:37,345 | ^~~~~ 2021-07-10T04:19:37,345 src/inter_energy.c:220:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,345 220 | int typeA,typeB; 2021-07-10T04:19:37,345 | ^~~~~ 2021-07-10T04:19:37,345 src/inter_energy.c: In function ‘CalculateInterChargeChargeSelfEnergyCorrectionCationOld’: 2021-07-10T04:19:37,346 src/inter_energy.c:268:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,346 268 | int typeA,typeB; 2021-07-10T04:19:37,346 | ^~~~~ 2021-07-10T04:19:37,346 src/inter_energy.c:268:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,346 268 | int typeA,typeB; 2021-07-10T04:19:37,346 | ^~~~~ 2021-07-10T04:19:37,347 src/inter_energy.c: In function ‘CalculateInterVDWEnergyAdsorbateAtPosition’: 2021-07-10T04:19:37,347 src/inter_energy.c:320:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,348 320 | int TypeMolB; 2021-07-10T04:19:37,348 | ^~~~~~~~ 2021-07-10T04:19:37,350 src/inter_energy.c: In function ‘CalculateInterChargeEnergyAdsorbateAtPosition’: 2021-07-10T04:19:37,351 src/inter_energy.c:388:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,351 388 | int i,j,l,typeB,B1,B2,TypeB; 2021-07-10T04:19:37,351 | ^~~~~ 2021-07-10T04:19:37,352 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCationAtPosition’: 2021-07-10T04:19:37,352 src/inter_energy.c:533:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,352 533 | int TypeMolB; 2021-07-10T04:19:37,352 | ^~~~~~~~ 2021-07-10T04:19:37,355 src/inter_energy.c: In function ‘CalculateInterChargeEnergyCationAtPosition’: 2021-07-10T04:19:37,355 src/inter_energy.c:598:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,355 598 | int i,j,l,typeB,B1,B2,TypeB; 2021-07-10T04:19:37,356 | ^~~~~ 2021-07-10T04:19:37,362 src/inter_energy.c: In function ‘CalculateInterBondDipoleEnergyCationAtPosition’: 2021-07-10T04:19:37,362 src/inter_energy.c:881:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,362 881 | int TypeB,typeB; 2021-07-10T04:19:37,362 | ^~~~~ 2021-07-10T04:19:37,367 src/inter_energy.c: In function ‘CalculateTotalInterVDWEnergy’: 2021-07-10T04:19:37,367 src/inter_energy.c:1026:19: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,368 1026 | int typeA,typeB,TypeMolB; 2021-07-10T04:19:37,368 | ^~~~~~~~ 2021-07-10T04:19:37,374 src/inter_energy.c: In function ‘CalculateTotalInterChargeChargeCoulombEnergy’: 2021-07-10T04:19:37,375 src/inter_energy.c:1272:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,375 1272 | REAL r,r2; 2021-07-10T04:19:37,375 | ^ 2021-07-10T04:19:37,375 src/inter_energy.c:1271:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,376 1271 | int typeA,typeB; 2021-07-10T04:19:37,376 | ^~~~~ 2021-07-10T04:19:37,376 src/inter_energy.c:1271:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,376 1271 | int typeA,typeB; 2021-07-10T04:19:37,376 | ^~~~~ 2021-07-10T04:19:37,385 src/inter_energy.c: In function ‘CalculateTotalInterChargeBondDipoleCoulombEnergy’: 2021-07-10T04:19:37,386 src/inter_energy.c:1604:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,386 1604 | REAL Bt0,Bt1,Bt2; 2021-07-10T04:19:37,387 | ^~~ 2021-07-10T04:19:37,401 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateNewRXCM’: 2021-07-10T04:19:37,403 src/inter_energy.c:2324:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,403 2324 | int RXMCMoleculeNumbers[256]; 2021-07-10T04:19:37,403 | ^~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:37,404 src/inter_energy.c:2316:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2021-07-10T04:19:37,404 2316 | int indexA,indexB; 2021-07-10T04:19:37,404 | ^~~~~~ 2021-07-10T04:19:37,405 src/inter_energy.c:2316:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2021-07-10T04:19:37,406 2316 | int indexA,indexB; 2021-07-10T04:19:37,406 | ^~~~~~ 2021-07-10T04:19:37,415 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateRXCM’: 2021-07-10T04:19:37,416 src/inter_energy.c:2479:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2021-07-10T04:19:37,416 2479 | int ncell; 2021-07-10T04:19:37,416 | ^~~~~ 2021-07-10T04:19:37,422 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateNewRXCM’: 2021-07-10T04:19:37,423 src/inter_energy.c:2689:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,423 2689 | int RXMCMoleculeNumbers[256]; 2021-07-10T04:19:37,423 | ^~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:37,425 src/inter_energy.c:2682:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,425 2682 | int typeA,typeB; 2021-07-10T04:19:37,425 | ^~~~~ 2021-07-10T04:19:37,426 src/inter_energy.c:2682:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,426 2682 | int typeA,typeB; 2021-07-10T04:19:37,426 | ^~~~~ 2021-07-10T04:19:37,428 src/inter_energy.c:2681:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2021-07-10T04:19:37,428 2681 | int indexA,indexB; 2021-07-10T04:19:37,428 | ^~~~~~ 2021-07-10T04:19:37,429 src/inter_energy.c:2681:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2021-07-10T04:19:37,429 2681 | int indexA,indexB; 2021-07-10T04:19:37,429 | ^~~~~~ 2021-07-10T04:19:37,438 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateRXCM’: 2021-07-10T04:19:37,440 src/inter_energy.c:2843:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2021-07-10T04:19:37,440 2843 | int ncell; 2021-07-10T04:19:37,440 | ^~~~~ 2021-07-10T04:19:37,441 src/inter_energy.c:2838:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,442 2838 | int typeA,typeB; 2021-07-10T04:19:37,442 | ^~~~~ 2021-07-10T04:19:37,443 src/inter_energy.c:2838:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,443 2838 | int typeA,typeB; 2021-07-10T04:19:37,443 | ^~~~~ 2021-07-10T04:19:37,452 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbate’: 2021-07-10T04:19:37,454 src/inter_energy.c:3070:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,454 3070 | int TypeMolB; 2021-07-10T04:19:37,454 | ^~~~~~~~ 2021-07-10T04:19:37,463 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceCation’: 2021-07-10T04:19:37,465 src/inter_energy.c:3359:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,465 3359 | int TypeMolB; 2021-07-10T04:19:37,465 | ^~~~~~~~ 2021-07-10T04:19:37,525 src/inter_energy.c: In function ‘CalculateInterChargeElectrostaticPotential’: 2021-07-10T04:19:37,529 src/inter_energy.c:6001:8: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,529 6001 | REAL chargeB; 2021-07-10T04:19:37,529 | ^~~~~~~ 2021-07-10T04:19:37,533 src/inter_energy.c:5998:11: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,533 5998 | int i,j,typeB; 2021-07-10T04:19:37,533 | ^~~~~ 2021-07-10T04:19:37,535 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCorrectionAdsorbate’: 2021-07-10T04:19:37,538 src/inter_energy.c:6064:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,539 6064 | int TypeMolB; 2021-07-10T04:19:37,539 | ^~~~~~~~ 2021-07-10T04:19:37,541 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCorrectionCation’: 2021-07-10T04:19:37,544 src/inter_energy.c:6114:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:37,545 6114 | int TypeMolB; 2021-07-10T04:19:37,545 | ^~~~~~~~ 2021-07-10T04:19:37,604 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateNewRXCM’: 2021-07-10T04:19:37,606 src/inter_energy.c:2468:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:19:37,606 2468 | } 2021-07-10T04:19:37,606 | ^ 2021-07-10T04:19:37,610 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateRXCM’: 2021-07-10T04:19:37,611 src/inter_energy.c:2670:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:19:37,611 2670 | } 2021-07-10T04:19:37,611 | ^ 2021-07-10T04:19:37,615 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateNewRXCM’: 2021-07-10T04:19:37,616 src/inter_energy.c:2832:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:19:37,616 2832 | } 2021-07-10T04:19:37,616 | ^ 2021-07-10T04:19:37,621 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateRXCM’: 2021-07-10T04:19:37,622 src/inter_energy.c:3038:1: warning: control reaches end of non-void function [-Wreturn-type] 2021-07-10T04:19:37,623 3038 | } 2021-07-10T04:19:37,623 | ^ 2021-07-10T04:19:44,468 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbate’: 2021-07-10T04:19:44,469 src/inter_energy.c:3283:54: warning: ‘scalingA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,469 3283 | UAdsorbateVDWDelta[CurrentSystem]-=PotentialValue(typeA,typeB,rr,scalingA_old*scalingB); 2021-07-10T04:19:44,469 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,471 src/inter_energy.c:3174:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,471 3174 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:44,471 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,473 src/inter_energy.c:3173:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,473 3173 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:44,473 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,475 src/inter_energy.c:3172:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,475 3172 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:44,475 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,477 src/inter_energy.c:3156:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,477 3156 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:44,477 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,479 src/inter_energy.c:3155:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,479 3155 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:44,479 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,481 src/inter_energy.c:3154:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,481 3154 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:44,481 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,482 src/inter_energy.c:3161:28: warning: ‘scalingA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,483 3161 | energy=PotentialValue(typeA,typeB,rr,scalingA_new*scalingB); 2021-07-10T04:19:44,483 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,967 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceCation’: 2021-07-10T04:19:44,969 src/inter_energy.c:3573:51: warning: ‘scalingA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,969 3573 | UCationVDWDelta[CurrentSystem]-=PotentialValue(typeA,typeB,rr,scalingA_old*scalingB); 2021-07-10T04:19:44,969 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,971 src/inter_energy.c:3463:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,971 3463 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:44,971 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,973 src/inter_energy.c:3462:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,973 3462 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:44,974 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,975 src/inter_energy.c:3461:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,976 3461 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:44,976 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,977 src/inter_energy.c:3445:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,978 3445 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:44,978 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,980 src/inter_energy.c:3444:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,980 3444 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:44,980 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,982 src/inter_energy.c:3443:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,982 3443 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:44,982 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:44,983 src/inter_energy.c:3450:28: warning: ‘scalingA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:44,984 3450 | energy=PotentialValue(typeA,typeB,rr,scalingA_new*scalingB); 2021-07-10T04:19:44,984 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,480 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbate’: 2021-07-10T04:19:45,482 src/inter_energy.c:3854:67: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,482 3854 | UAdsorbateChargeChargeRealDelta[CurrentSystem]-=PotentialValueCoulombic(chargeA_old,chargeB,sqrt(r2)); 2021-07-10T04:19:45,482 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,484 src/inter_energy.c:3750:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,485 3750 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:45,485 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,487 src/inter_energy.c:3749:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,487 3749 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:45,487 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,489 src/inter_energy.c:3748:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,489 3748 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:45,489 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,491 src/inter_energy.c:3732:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,491 3732 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:45,492 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,494 src/inter_energy.c:3731:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,494 3731 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:45,494 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,496 src/inter_energy.c:3730:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,496 3730 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:45,496 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:45,498 src/inter_energy.c:3737:28: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:45,498 3737 | energy=PotentialValueCoulombic(chargeA_new,chargeB,sqrt(r2)); 2021-07-10T04:19:45,498 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,028 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceCation’: 2021-07-10T04:19:46,030 src/inter_energy.c:4021:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,030 4021 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:46,030 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,032 src/inter_energy.c:4020:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,032 4020 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:46,032 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,035 src/inter_energy.c:4019:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,035 4019 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:46,035 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,037 src/inter_energy.c:4025:66: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,037 4025 | UCationChargeChargeRealDelta[CurrentSystem]-=PotentialValueCoulombic(chargeA_old,chargeB,sqrt(r2)); 2021-07-10T04:19:46,037 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,039 src/inter_energy.c:4011:66: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,040 4011 | UCationChargeChargeRealDelta[CurrentSystem]+=PotentialValueCoulombic(chargeA_new,chargeB,sqrt(r2)); 2021-07-10T04:19:46,040 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,685 src/inter_energy.c: In function ‘CalculateInterChargeBondDipoleEnergyDifferenceAdsorbate’: 2021-07-10T04:19:46,687 src/inter_energy.c:4413:36: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,688 4413 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:46,688 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,690 src/inter_energy.c:4412:36: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,690 4412 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:46,690 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,693 src/inter_energy.c:4411:36: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,693 4411 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:46,693 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,695 src/inter_energy.c:4398:36: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,696 4398 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:46,696 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,698 src/inter_energy.c:4397:36: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,698 4397 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:46,698 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,701 src/inter_energy.c:4396:36: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,701 4396 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:46,701 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,703 src/inter_energy.c:4271:73: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,704 4271 | UAdsorbateChargeBondDipoleRealDelta[CurrentSystem]-=PotentialValueChargeBondDipole(chargeA_old,dipoleB,dr,sqrt(rr)); 2021-07-10T04:19:46,704 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:46,706 src/inter_energy.c:4256:73: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:46,706 4256 | UAdsorbateChargeBondDipoleRealDelta[CurrentSystem]+=PotentialValueChargeBondDipole(chargeA_new,dipoleB,dr,sqrt(rr)); 2021-07-10T04:19:46,706 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:47,795 src/inter_energy.c: In function ‘CalculateInterBondDipoleBondDipoleEnergyDifferenceAdsorbate’: 2021-07-10T04:19:47,797 src/inter_energy.c:4750:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:47,797 4750 | REAL r; 2021-07-10T04:19:47,797 | ^ 2021-07-10T04:19:47,801 src/inter_energy.c:4913:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:47,802 4913 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:47,802 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:47,804 src/inter_energy.c:4911:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:47,804 4911 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:47,805 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:47,807 src/inter_energy.c:4912:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:47,807 4912 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:47,807 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,592 src/inter_energy.c: In function ‘CalculateInterChargeBondDipoleEnergyDifferenceCation’: 2021-07-10T04:19:48,595 src/inter_energy.c:5332:36: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,595 5332 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:48,595 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,598 src/inter_energy.c:5331:36: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,599 5331 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:48,599 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,602 src/inter_energy.c:5330:36: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,602 5330 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:48,602 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,605 src/inter_energy.c:5317:36: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,605 5317 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:48,605 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,608 src/inter_energy.c:5316:36: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,608 5316 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:48,608 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,611 src/inter_energy.c:5315:36: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,611 5315 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:48,612 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,614 src/inter_energy.c:5190:70: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,615 5190 | UCationChargeBondDipoleRealDelta[CurrentSystem]-=PotentialValueChargeBondDipole(chargeA_old,dipoleB,dr,sqrt(rr)); 2021-07-10T04:19:48,615 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:48,618 src/inter_energy.c:5175:70: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:48,618 5175 | UCationChargeBondDipoleRealDelta[CurrentSystem]+=PotentialValueChargeBondDipole(chargeA_new,dipoleB,dr,sqrt(rr)); 2021-07-10T04:19:48,618 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:49,701 src/inter_energy.c: In function ‘CalculateInterBondDipoleBondDipoleEnergyDifferenceCation’: 2021-07-10T04:19:49,704 src/inter_energy.c:5669:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:49,704 5669 | REAL r; 2021-07-10T04:19:49,705 | ^ 2021-07-10T04:19:49,709 src/inter_energy.c:5832:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:49,709 5832 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-10T04:19:49,709 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:49,713 src/inter_energy.c:5830:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:49,713 5830 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-10T04:19:49,713 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:49,716 src/inter_energy.c:5831:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:19:49,716 5831 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-10T04:19:49,716 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:19:51,159 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_force.c -o build/temp.linux-armv7l-3.9/src/inter_force.o 2021-07-10T04:19:51,382 src/inter_force.c: In function ‘CalculateTotalInterChargeChargeCoulombForce’: 2021-07-10T04:19:51,382 src/inter_force.c:956:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,382 956 | int typeA,typeB; 2021-07-10T04:19:51,382 | ^~~~~ 2021-07-10T04:19:51,383 src/inter_force.c:956:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,383 956 | int typeA,typeB; 2021-07-10T04:19:51,383 | ^~~~~ 2021-07-10T04:19:51,407 src/inter_force.c: In function ‘CalculateTotalInterChargeChargeCoulombElectricFieldMC’: 2021-07-10T04:19:51,408 src/inter_force.c:1909:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,408 1909 | REAL r,rr; 2021-07-10T04:19:51,408 | ^ 2021-07-10T04:19:51,409 src/inter_force.c:1908:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,409 1908 | int typeA,typeB; 2021-07-10T04:19:51,409 | ^~~~~ 2021-07-10T04:19:51,410 src/inter_force.c:1908:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,410 1908 | int typeA,typeB; 2021-07-10T04:19:51,411 | ^~~~~ 2021-07-10T04:19:51,414 src/inter_force.c: In function ‘CalculateInterElectricFieldFromInducedDipoles’: 2021-07-10T04:19:51,415 src/inter_force.c:2165:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,415 2165 | REAL r,rr; 2021-07-10T04:19:51,415 | ^ 2021-07-10T04:19:51,416 src/inter_force.c:2163:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,416 2163 | int TypeA,TypeB; 2021-07-10T04:19:51,416 | ^~~~~ 2021-07-10T04:19:51,418 src/inter_force.c:2163:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,418 2163 | int TypeA,TypeB; 2021-07-10T04:19:51,418 | ^~~~~ 2021-07-10T04:19:51,422 src/inter_force.c: In function ‘CalculateInterElectricFieldFromInducedDipoleMC’: 2021-07-10T04:19:51,424 src/inter_force.c:2300:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,424 2300 | int TypeA,TypeB; 2021-07-10T04:19:51,424 | ^~~~~ 2021-07-10T04:19:51,425 src/inter_force.c:2300:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,425 2300 | int TypeA,TypeB; 2021-07-10T04:19:51,426 | ^~~~~ 2021-07-10T04:19:51,430 src/inter_force.c: In function ‘CalculateInterChargeInducedDipoleForce’: 2021-07-10T04:19:51,432 src/inter_force.c:2532:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,432 2532 | REAL Bt0,Bt1,Bt2; 2021-07-10T04:19:51,432 | ^~~ 2021-07-10T04:19:51,445 src/inter_force.c: In function ‘CalculateTotalInterReplicaVDWForce’: 2021-07-10T04:19:51,447 src/inter_force.c:2826:28: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,447 2826 | int typeA,typeB,TypeMolA,TypeMolB; 2021-07-10T04:19:51,447 | ^~~~~~~~ 2021-07-10T04:19:51,449 src/inter_force.c:2826:19: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,449 2826 | int typeA,typeB,TypeMolA,TypeMolB; 2021-07-10T04:19:51,449 | ^~~~~~~~ 2021-07-10T04:19:51,459 src/inter_force.c: In function ‘CalculateTotalInterReplicaChargeChargeCoulombForce’: 2021-07-10T04:19:51,461 src/inter_force.c:3158:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,461 3158 | REAL r,rr; 2021-07-10T04:19:51,462 | ^ 2021-07-10T04:19:51,463 src/inter_force.c:3157:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,463 3157 | int typeA,typeB; 2021-07-10T04:19:51,463 | ^~~~~ 2021-07-10T04:19:51,465 src/inter_force.c:3157:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:19:51,466 3157 | int typeA,typeB; 2021-07-10T04:19:51,466 | ^~~~~ 2021-07-10T04:19:59,878 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_hessian.c -o build/temp.linux-armv7l-3.9/src/inter_hessian.o 2021-07-10T04:20:00,521 src/inter_hessian.c: In function ‘PreComputeRotationDerivatives’: 2021-07-10T04:20:00,523 src/inter_hessian.c:3462:18: warning: variable ‘RotationMatrix’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:00,523 3462 | REAL_MATRIX3x3 RotationMatrix; 2021-07-10T04:20:00,523 | ^~~~~~~~~~~~~~ 2021-07-10T04:20:00,525 src/inter_hessian.c:3461:10: warning: variable ‘com’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:00,525 3461 | VECTOR com,pos,p; 2021-07-10T04:20:00,526 | ^~~ 2021-07-10T04:20:00,567 src/inter_hessian.c: In function ‘ComputeInterVDWMolecularHessian’: 2021-07-10T04:20:00,570 src/inter_hessian.c:3627:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:00,570 3627 | REAL r,temp1,temp2,temp3; 2021-07-10T04:20:00,570 | ^ 2021-07-10T04:20:00,617 src/inter_hessian.c: In function ‘ComputeInterChargeChargeMolecularHessian’: 2021-07-10T04:20:00,620 src/inter_hessian.c:4215:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:00,620 4215 | REAL r,temp1,temp2,temp3; 2021-07-10T04:20:00,620 | ^ 2021-07-10T04:20:00,623 src/inter_hessian.c:4207:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:00,623 4207 | int typeA,typeB; 2021-07-10T04:20:00,623 | ^~~~~ 2021-07-10T04:20:00,626 src/inter_hessian.c:4207:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:00,626 4207 | int typeA,typeB; 2021-07-10T04:20:00,626 | ^~~~~ 2021-07-10T04:20:00,634 src/inter_hessian.c: In function ‘CalculateBondConstraintExclusionHessian’: 2021-07-10T04:20:00,637 src/inter_hessian.c:4799:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:00,638 4799 | REAL r,rr; 2021-07-10T04:20:00,638 | ^ 2021-07-10T04:20:02,858 src/inter_hessian.c: In function ‘HessianCenterOfMassOrientation’: 2021-07-10T04:20:02,858 src/inter_hessian.c:260:65: warning: ‘vecj3.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,858 260 | Hessian.cz=f2*(dr.x*vecj3.x+dr.y*vecj3.y+dr.z*vecj3.z)*dr.z+f1*vecj3.z; 2021-07-10T04:20:02,858 | ~~^~~~~~~~ 2021-07-10T04:20:02,858 src/inter_hessian.c:256:65: warning: ‘vecj3.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,858 256 | Hessian.bz=f2*(dr.x*vecj3.x+dr.y*vecj3.y+dr.z*vecj3.z)*dr.y+f1*vecj3.y; 2021-07-10T04:20:02,859 | ~~^~~~~~~~ 2021-07-10T04:20:02,859 src/inter_hessian.c:252:65: warning: ‘vecj3.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,859 252 | Hessian.az=f2*(dr.x*vecj3.x+dr.y*vecj3.y+dr.z*vecj3.z)*dr.x+f1*vecj3.x; 2021-07-10T04:20:02,859 | ~~^~~~~~~~ 2021-07-10T04:20:02,859 src/inter_hessian.c:251:48: warning: ‘vecj2.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,859 251 | Hessian.ay=f2*(dr.x*vecj2.x+dr.y*vecj2.y+dr.z*vecj2.z)*dr.x+f1*vecj2.x; 2021-07-10T04:20:02,859 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,859 src/inter_hessian.c:251:35: warning: ‘vecj2.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,859 251 | Hessian.ay=f2*(dr.x*vecj2.x+dr.y*vecj2.y+dr.z*vecj2.z)*dr.x+f1*vecj2.x; 2021-07-10T04:20:02,860 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,860 src/inter_hessian.c:251:22: warning: ‘vecj2.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,860 251 | Hessian.ay=f2*(dr.x*vecj2.x+dr.y*vecj2.y+dr.z*vecj2.z)*dr.x+f1*vecj2.x; 2021-07-10T04:20:02,860 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,860 src/inter_hessian.c:250:48: warning: ‘vecj1.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,860 250 | Hessian.ax=f2*(dr.x*vecj1.x+dr.y*vecj1.y+dr.z*vecj1.z)*dr.x+f1*vecj1.x; 2021-07-10T04:20:02,860 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,861 src/inter_hessian.c:250:35: warning: ‘vecj1.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,861 250 | Hessian.ax=f2*(dr.x*vecj1.x+dr.y*vecj1.y+dr.z*vecj1.z)*dr.x+f1*vecj1.x; 2021-07-10T04:20:02,861 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,861 src/inter_hessian.c:250:65: warning: ‘vecj1.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,861 250 | Hessian.ax=f2*(dr.x*vecj1.x+dr.y*vecj1.y+dr.z*vecj1.z)*dr.x+f1*vecj1.x; 2021-07-10T04:20:02,861 | ~~^~~~~~~~ 2021-07-10T04:20:02,862 src/inter_hessian.c:172:65: warning: ‘veci3.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,862 172 | Hessian.cz=f2*(dr.x*veci3.x+dr.y*veci3.y+dr.z*veci3.z)*dr.z+f1*veci3.z; 2021-07-10T04:20:02,862 | ~~^~~~~~~~ 2021-07-10T04:20:02,862 src/inter_hessian.c:168:65: warning: ‘veci3.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,862 168 | Hessian.bz=f2*(dr.x*veci3.x+dr.y*veci3.y+dr.z*veci3.z)*dr.y+f1*veci3.y; 2021-07-10T04:20:02,862 | ~~^~~~~~~~ 2021-07-10T04:20:02,862 src/inter_hessian.c:164:65: warning: ‘veci3.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,863 164 | Hessian.az=f2*(dr.x*veci3.x+dr.y*veci3.y+dr.z*veci3.z)*dr.x+f1*veci3.x; 2021-07-10T04:20:02,863 | ~~^~~~~~~~ 2021-07-10T04:20:02,863 src/inter_hessian.c:163:48: warning: ‘veci2.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,863 163 | Hessian.ay=f2*(dr.x*veci2.x+dr.y*veci2.y+dr.z*veci2.z)*dr.x+f1*veci2.x; 2021-07-10T04:20:02,863 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,863 src/inter_hessian.c:163:35: warning: ‘veci2.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,863 163 | Hessian.ay=f2*(dr.x*veci2.x+dr.y*veci2.y+dr.z*veci2.z)*dr.x+f1*veci2.x; 2021-07-10T04:20:02,864 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,864 src/inter_hessian.c:163:22: warning: ‘veci2.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,864 163 | Hessian.ay=f2*(dr.x*veci2.x+dr.y*veci2.y+dr.z*veci2.z)*dr.x+f1*veci2.x; 2021-07-10T04:20:02,864 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,864 src/inter_hessian.c:162:48: warning: ‘veci1.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,864 162 | Hessian.ax=f2*(dr.x*veci1.x+dr.y*veci1.y+dr.z*veci1.z)*dr.x+f1*veci1.x; 2021-07-10T04:20:02,864 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,864 src/inter_hessian.c:162:35: warning: ‘veci1.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,865 162 | Hessian.ax=f2*(dr.x*veci1.x+dr.y*veci1.y+dr.z*veci1.z)*dr.x+f1*veci1.x; 2021-07-10T04:20:02,865 | ~~~~^~~~~~~~ 2021-07-10T04:20:02,865 src/inter_hessian.c:162:65: warning: ‘veci1.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:02,865 162 | Hessian.ax=f2*(dr.x*veci1.x+dr.y*veci1.y+dr.z*veci1.z)*dr.x+f1*veci1.x; 2021-07-10T04:20:02,865 | ~~^~~~~~~~ 2021-07-10T04:20:10,234 src/inter_hessian.c: In function ‘ComputeInterVDWMolecularHessian’: 2021-07-10T04:20:10,237 src/inter_hessian.c:4025:49: warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:20:10,237 4025 | scalingA=Cations[CurrentSystem][I].Atoms[j].CFVDWScalingParameter; 2021-07-10T04:20:10,237 | ^ 2021-07-10T04:20:15,613 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_born.c -o build/temp.linux-armv7l-3.9/src/internal_born.o 2021-07-10T04:20:15,959 src/internal_born.c: In function ‘CalculateAdsorbateIntraCoulombBornTerm’: 2021-07-10T04:20:15,961 src/internal_born.c:4296:48: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:15,962 4296 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:15,962 | ^~~~~ 2021-07-10T04:20:15,962 src/internal_born.c:4296:42: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:15,962 4296 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:15,962 | ^~~~~ 2021-07-10T04:20:15,963 src/internal_born.c: In function ‘CalculateCationIntraCoulombBornTerm’: 2021-07-10T04:20:15,964 src/internal_born.c:4379:48: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:15,964 4379 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:15,965 | ^~~~~ 2021-07-10T04:20:15,965 src/internal_born.c:4379:42: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:15,965 4379 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:15,966 | ^~~~~ 2021-07-10T04:20:34,964 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_energy.c -o build/temp.linux-armv7l-3.9/src/internal_energy.o 2021-07-10T04:20:35,168 src/internal_energy.c: In function ‘CalculateBendEnergy’: 2021-07-10T04:20:35,170 src/internal_energy.c:1166:20: warning: variable ‘energy’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,170 1166 | REAL rab,rbc,rac,energy; 2021-07-10T04:20:35,170 | ^~~~~~ 2021-07-10T04:20:35,222 src/internal_energy.c: In function ‘CalculateBendBendEnergy’: 2021-07-10T04:20:35,224 src/internal_energy.c:4036:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,224 4036 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,224 | ^~~~~~~~~ 2021-07-10T04:20:35,226 src/internal_energy.c:4036:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,226 4036 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,226 | ^~~~~~~~~ 2021-07-10T04:20:35,229 src/internal_energy.c: In function ‘CalculateBendBendEnergyAdsorbate’: 2021-07-10T04:20:35,230 src/internal_energy.c:4118:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,230 4118 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,231 | ^~~~~~~~~ 2021-07-10T04:20:35,232 src/internal_energy.c:4118:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,232 4118 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,232 | ^~~~~~~~~ 2021-07-10T04:20:35,235 src/internal_energy.c: In function ‘CalculateBendBendEnergyCation’: 2021-07-10T04:20:35,236 src/internal_energy.c:4212:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,236 4212 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,236 | ^~~~~~~~~ 2021-07-10T04:20:35,238 src/internal_energy.c:4212:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,238 4212 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,238 | ^~~~~~~~~ 2021-07-10T04:20:35,240 src/internal_energy.c: In function ‘CalculateBondTorsionEnergy’: 2021-07-10T04:20:35,241 src/internal_energy.c:4302:16: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,241 4302 | REAL rab,rbc,rcd,temp; 2021-07-10T04:20:35,241 | ^~~ 2021-07-10T04:20:35,243 src/internal_energy.c:4302:8: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,243 4302 | REAL rab,rbc,rcd,temp; 2021-07-10T04:20:35,243 | ^~~ 2021-07-10T04:20:35,245 src/internal_energy.c: In function ‘CalculateBondTorsionEnergyAdsorbate’: 2021-07-10T04:20:35,246 src/internal_energy.c:4388:29: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,247 4388 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-10T04:20:35,247 | ^~~ 2021-07-10T04:20:35,248 src/internal_energy.c:4388:21: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,248 4388 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-10T04:20:35,249 | ^~~ 2021-07-10T04:20:35,250 src/internal_energy.c: In function ‘CalculateBondTorsionEnergyCation’: 2021-07-10T04:20:35,252 src/internal_energy.c:4483:29: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,252 4483 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-10T04:20:35,252 | ^~~ 2021-07-10T04:20:35,254 src/internal_energy.c:4483:21: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,254 4483 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-10T04:20:35,254 | ^~~ 2021-07-10T04:20:35,258 src/internal_energy.c: In function ‘CalculateBendTorsionEnergy’: 2021-07-10T04:20:35,259 src/internal_energy.c:4582:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,260 4582 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,260 | ^~~~~~~~~ 2021-07-10T04:20:35,261 src/internal_energy.c:4582:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,262 4582 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,262 | ^~~~~~~~~ 2021-07-10T04:20:35,266 src/internal_energy.c: In function ‘CalculateBendTorsionEnergyAdsorbate’: 2021-07-10T04:20:35,267 src/internal_energy.c:4738:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,267 4738 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,268 | ^~~~~~~~~ 2021-07-10T04:20:35,269 src/internal_energy.c:4738:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,269 4738 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,270 | ^~~~~~~~~ 2021-07-10T04:20:35,274 src/internal_energy.c: In function ‘CalculateBendTorsionEnergyCation’: 2021-07-10T04:20:35,275 src/internal_energy.c:4905:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,276 4905 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,276 | ^~~~~~~~~ 2021-07-10T04:20:35,278 src/internal_energy.c:4905:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,278 4905 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-10T04:20:35,278 | ^~~~~~~~~ 2021-07-10T04:20:35,281 src/internal_energy.c: In function ‘CalculateIntraChargeChargeEnergyAdsorbate’: 2021-07-10T04:20:35,283 src/internal_energy.c:5148:53: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,283 5148 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-10T04:20:35,283 | ^~~~~ 2021-07-10T04:20:35,285 src/internal_energy.c:5148:47: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,285 5148 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-10T04:20:35,286 | ^~~~~ 2021-07-10T04:20:35,287 src/internal_energy.c: In function ‘CalculateIntraChargeChargeEnergyCation’: 2021-07-10T04:20:35,289 src/internal_energy.c:5193:53: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,289 5193 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-10T04:20:35,290 | ^~~~~ 2021-07-10T04:20:35,292 src/internal_energy.c:5193:47: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,292 5193 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-10T04:20:35,292 | ^~~~~ 2021-07-10T04:20:35,298 src/internal_energy.c: In function ‘CalculateIntraBondDipoleBondDipoleEnergyAdsorbate’: 2021-07-10T04:20:35,301 src/internal_energy.c:5366:20: warning: variable ‘Bt3’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,301 5366 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-10T04:20:35,301 | ^~~ 2021-07-10T04:20:35,303 src/internal_energy.c:5366:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,303 5366 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-10T04:20:35,303 | ^~~ 2021-07-10T04:20:35,306 src/internal_energy.c: In function ‘CalculateIntraBondDipoleBondDipoleEnergyCation’: 2021-07-10T04:20:35,308 src/internal_energy.c:5447:20: warning: variable ‘Bt3’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,308 5447 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-10T04:20:35,308 | ^~~ 2021-07-10T04:20:35,311 src/internal_energy.c:5447:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,311 5447 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-10T04:20:35,311 | ^~~ 2021-07-10T04:20:35,314 src/internal_energy.c: In function ‘CalculateHarmonicDihedralConstraintEnergy’: 2021-07-10T04:20:35,316 src/internal_energy.c:5617:19: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:35,317 5617 | REAL CosPhi,Phi,CosPhi2,U; 2021-07-10T04:20:35,317 | ^~~~~~~ 2021-07-10T04:20:41,243 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_force.c -o build/temp.linux-armv7l-3.9/src/internal_force.o 2021-07-10T04:20:41,427 src/internal_force.c: In function ‘ReturnDihedralAngle’: 2021-07-10T04:20:41,428 src/internal_force.c:91:12: warning: variable ‘v’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,429 91 | REAL u,w,v; 2021-07-10T04:20:41,429 | ^ 2021-07-10T04:20:41,429 src/internal_force.c:91:10: warning: variable ‘w’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,429 91 | REAL u,w,v; 2021-07-10T04:20:41,429 | ^ 2021-07-10T04:20:41,429 src/internal_force.c:91:8: warning: variable ‘u’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,430 91 | REAL u,w,v; 2021-07-10T04:20:41,430 | ^ 2021-07-10T04:20:41,430 src/internal_force.c: In function ‘ReturnInversionBendAngle’: 2021-07-10T04:20:41,430 src/internal_force.c:173:18: warning: variable ‘ChiD’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,430 173 | REAL ChiA,ChiC,ChiD; 2021-07-10T04:20:41,431 | ^~~~ 2021-07-10T04:20:41,431 src/internal_force.c:173:13: warning: variable ‘ChiC’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,431 173 | REAL ChiA,ChiC,ChiD; 2021-07-10T04:20:41,431 | ^~~~ 2021-07-10T04:20:41,436 src/internal_force.c: In function ‘ReturnWilsonVectorsInversionBend’: 2021-07-10T04:20:41,437 src/internal_force.c:385:8: warning: variable ‘ThetaD’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,437 385 | REAL ThetaD,SinThetaD,CosThetaD,ChiD,CosChiD,TanChiD; 2021-07-10T04:20:41,437 | ^~~~~~ 2021-07-10T04:20:41,437 src/internal_force.c:384:8: warning: variable ‘ThetaC’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,437 384 | REAL ThetaC,SinThetaC,CosThetaC,ChiC,CosChiC,TanChiC; 2021-07-10T04:20:41,437 | ^~~~~~ 2021-07-10T04:20:41,437 src/internal_force.c:383:8: warning: variable ‘ThetaA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,438 383 | REAL ThetaA,SinThetaA,CosThetaA,ChiA,CosChiA,TanChiA; 2021-07-10T04:20:41,438 | ^~~~~~ 2021-07-10T04:20:41,459 src/internal_force.c: In function ‘CalculateAdsorbateBendForce’: 2021-07-10T04:20:41,460 src/internal_force.c:1175:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,460 1175 | REAL CosTheta,Theta,SinTheta; 2021-07-10T04:20:41,460 | ^~~~~~~~ 2021-07-10T04:20:41,468 src/internal_force.c: In function ‘CalculateCationBendForce’: 2021-07-10T04:20:41,469 src/internal_force.c:1523:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,469 1523 | REAL CosTheta,Theta,SinTheta; 2021-07-10T04:20:41,469 | ^~~~~~~~ 2021-07-10T04:20:41,475 src/internal_force.c: In function ‘CalculateAdsorbateInversionBendForce’: 2021-07-10T04:20:41,476 src/internal_force.c:1874:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,476 1874 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-10T04:20:41,476 | ^~~~ 2021-07-10T04:20:41,482 src/internal_force.c: In function ‘CalculateCationInversionBendForce’: 2021-07-10T04:20:41,483 src/internal_force.c:2113:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,483 2113 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-10T04:20:41,483 | ^~~~ 2021-07-10T04:20:41,527 src/internal_force.c: In function ‘CalculateAdsorbateBondBendForce’: 2021-07-10T04:20:41,529 src/internal_force.c:3784:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,529 3784 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2021-07-10T04:20:41,529 | ^~~~~ 2021-07-10T04:20:41,535 src/internal_force.c: In function ‘CalculateCationBondBendForce’: 2021-07-10T04:20:41,536 src/internal_force.c:3970:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,537 3970 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2021-07-10T04:20:41,537 | ^~~~~ 2021-07-10T04:20:41,542 src/internal_force.c: In function ‘CalculateAdsorbateBendBendForce’: 2021-07-10T04:20:41,544 src/internal_force.c:4160:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,544 4160 | VECTOR fa,fb,fc,fd; 2021-07-10T04:20:41,544 | ^~ 2021-07-10T04:20:41,549 src/internal_force.c: In function ‘CalculateCationBendBendForce’: 2021-07-10T04:20:41,551 src/internal_force.c:4324:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,551 4324 | VECTOR fa,fb,fc,fd; 2021-07-10T04:20:41,551 | ^~ 2021-07-10T04:20:41,586 src/internal_force.c: In function ‘CalculateAdsorbateIntraChargeChargeForce’: 2021-07-10T04:20:41,588 src/internal_force.c:5543:46: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,588 5543 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:41,589 | ^~~~~ 2021-07-10T04:20:41,591 src/internal_force.c:5543:40: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,592 5543 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:41,592 | ^~~~~ 2021-07-10T04:20:41,593 src/internal_force.c: In function ‘CalculateCationIntraChargeChargeForce’: 2021-07-10T04:20:41,596 src/internal_force.c:5610:46: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,596 5610 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:41,596 | ^~~~~ 2021-07-10T04:20:41,599 src/internal_force.c:5610:40: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,599 5610 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-10T04:20:41,599 | ^~~~~ 2021-07-10T04:20:41,602 src/internal_force.c: In function ‘CalculateAdsorbateIntraChargeBondDipoleForce’: 2021-07-10T04:20:41,605 src/internal_force.c:5679:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,605 5679 | REAL Bt0,Bt1,Bt2,cosB; 2021-07-10T04:20:41,605 | ^~~ 2021-07-10T04:20:41,608 src/internal_force.c: In function ‘CalculateCationIntraChargeBondDipoleForce’: 2021-07-10T04:20:41,610 src/internal_force.c:5791:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,611 5791 | REAL Bt0,Bt1,Bt2,cosB; 2021-07-10T04:20:41,611 | ^~~ 2021-07-10T04:20:41,617 src/internal_force.c: In function ‘CalculateAdsorbateIntraBondDipoleBondDipoleForce’: 2021-07-10T04:20:41,620 src/internal_force.c:5903:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,620 5903 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-10T04:20:41,620 | ^~~ 2021-07-10T04:20:41,625 src/internal_force.c: In function ‘CalculateCationIntraBondDipoleBondDipoleForce’: 2021-07-10T04:20:41,628 src/internal_force.c:6072:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,628 6072 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-10T04:20:41,628 | ^~~ 2021-07-10T04:20:41,631 src/internal_force.c: In function ‘CalculateHarmonicAngleConstraintForce’: 2021-07-10T04:20:41,635 src/internal_force.c:6301:25: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,635 6301 | VECTOR Rab,Rac,Rbc,fa,fb,fc,dtA,dtB,dtC; 2021-07-10T04:20:41,635 | ^~ 2021-07-10T04:20:41,638 src/internal_force.c:6298:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,639 6298 | REAL CosTheta,Theta,SinTheta; 2021-07-10T04:20:41,639 | ^~~~~~~~ 2021-07-10T04:20:41,643 src/internal_force.c: In function ‘CalculateHarmonicDihedralConstraintForce’: 2021-07-10T04:20:41,646 src/internal_force.c:6411:19: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:41,646 6411 | REAL CosPhi,Phi,CosPhi2,SinPhi,U,DF; 2021-07-10T04:20:41,647 | ^~~~~~~ 2021-07-10T04:20:52,825 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_hessian.c -o build/temp.linux-armv7l-3.9/src/internal_hessian.o 2021-07-10T04:20:54,885 src/internal_hessian.c: In function ‘CalculateAdsorbateBondBondHessian’: 2021-07-10T04:20:54,891 src/internal_hessian.c:8602:18: warning: unused variable ‘Hessian’ [-Wunused-variable] 2021-07-10T04:20:54,891 8602 | REAL_MATRIX3x3 Hessian,Hessian1,Hessian2,Hessian3; 2021-07-10T04:20:54,892 | ^~~~~~~ 2021-07-10T04:20:54,897 src/internal_hessian.c:8601:10: warning: unused variable ‘dr’ [-Wunused-variable] 2021-07-10T04:20:54,897 8601 | VECTOR dr; 2021-07-10T04:20:54,897 | ^~ 2021-07-10T04:20:54,903 src/internal_hessian.c:8597:33: warning: unused variable ‘exp_term’ [-Wunused-variable] 2021-07-10T04:20:54,903 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,903 | ^~~~~~~~ 2021-07-10T04:20:54,909 src/internal_hessian.c:8597:27: warning: unused variable ‘temp2’ [-Wunused-variable] 2021-07-10T04:20:54,909 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,909 | ^~~~~ 2021-07-10T04:20:54,915 src/internal_hessian.c:8597:22: warning: unused variable ‘temp’ [-Wunused-variable] 2021-07-10T04:20:54,915 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,915 | ^~~~ 2021-07-10T04:20:54,920 src/internal_hessian.c:8597:19: warning: unused variable ‘rr’ [-Wunused-variable] 2021-07-10T04:20:54,921 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,921 | ^~ 2021-07-10T04:20:54,926 src/internal_hessian.c:8597:17: warning: unused variable ‘r’ [-Wunused-variable] 2021-07-10T04:20:54,926 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,927 | ^ 2021-07-10T04:20:54,932 src/internal_hessian.c:8597:13: warning: unused variable ‘DDF’ [-Wunused-variable] 2021-07-10T04:20:54,932 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,932 | ^~~ 2021-07-10T04:20:54,938 src/internal_hessian.c:8597:10: warning: unused variable ‘DF’ [-Wunused-variable] 2021-07-10T04:20:54,938 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,938 | ^~ 2021-07-10T04:20:54,944 src/internal_hessian.c:8597:8: warning: unused variable ‘U’ [-Wunused-variable] 2021-07-10T04:20:54,944 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2021-07-10T04:20:54,944 | ^ 2021-07-10T04:20:55,015 src/internal_hessian.c: In function ‘CalculateAdsorbateIntraCoulombHessian’: 2021-07-10T04:20:55,021 src/internal_hessian.c:9126:43: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:55,021 9126 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-10T04:20:55,021 | ^~~~~ 2021-07-10T04:20:55,027 src/internal_hessian.c:9126:37: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:55,027 9126 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-10T04:20:55,028 | ^~~~~ 2021-07-10T04:20:55,052 src/internal_hessian.c: In function ‘CalculateCationIntraCoulombHessian’: 2021-07-10T04:20:55,058 src/internal_hessian.c:9273:43: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:55,058 9273 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-10T04:20:55,058 | ^~~~~ 2021-07-10T04:20:55,064 src/internal_hessian.c:9273:37: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:55,064 9273 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-10T04:20:55,065 | ^~~~~ 2021-07-10T04:20:55,068 src/internal_hessian.c: In function ‘CalculateAdsorbateInversionBendForces’: 2021-07-10T04:20:55,074 src/internal_hessian.c:9426:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:55,074 9426 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-10T04:20:55,074 | ^~~~ 2021-07-10T04:20:55,427 src/internal_hessian.c: In function ‘CalculateCationInversionBendForces’: 2021-07-10T04:20:55,433 src/internal_hessian.c:10140:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:55,433 10140 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-10T04:20:55,433 | ^~~~ 2021-07-10T04:20:56,280 src/internal_hessian.c: In function ‘CalculateHarmonicDihedralConstraintHessian’: 2021-07-10T04:20:56,288 src/internal_hessian.c:11185:21: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:20:56,288 11185 | REAL U,CosPhi,Phi,CosPhi2,SinPhi; 2021-07-10T04:20:56,289 | ^~~~~~~ 2021-07-10T04:21:53,776 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/linear_equations.c -o build/temp.linux-armv7l-3.9/src/linear_equations.o 2021-07-10T04:21:53,932 src/linear_equations.c: In function ‘Inverse’: 2021-07-10T04:21:53,933 src/linear_equations.c:66:12: warning: variable ‘arg2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:21:53,933 66 | int arg1,arg2; 2021-07-10T04:21:53,933 | ^~~~ 2021-07-10T04:21:53,933 src/linear_equations.c:66:7: warning: variable ‘arg1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:21:53,933 66 | int arg1,arg2; 2021-07-10T04:21:53,933 | ^~~~ 2021-07-10T04:21:54,721 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/main.c -o build/temp.linux-armv7l-3.9/src/main.o 2021-07-10T04:21:54,973 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/matrix.c -o build/temp.linux-armv7l-3.9/src/matrix.o 2021-07-10T04:21:55,130 src/matrix.c: In function ‘PrintRealFortranMatrix’: 2021-07-10T04:21:55,130 src/matrix.c:833:11: warning: variable ‘size’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:21:55,130 833 | int i,j,size; 2021-07-10T04:21:55,130 | ^~~~ 2021-07-10T04:21:55,154 src/matrix.c: In function ‘fpoly’: 2021-07-10T04:21:55,155 src/matrix.c:1773:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,155 1773 | for(j=1;j= num_terms) 2021-07-10T04:21:55,225 | ^~ 2021-07-10T04:21:55,226 src/matrix.c:2286:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,227 2286 | for( i = 0; i < mp; ++i ) 2021-07-10T04:21:55,227 | ^ 2021-07-10T04:21:55,227 src/matrix.c:2290:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,228 2290 | for( j = 0; j < np; ++j ) 2021-07-10T04:21:55,228 | ^ 2021-07-10T04:21:55,228 src/matrix.c:2295:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,229 2295 | for( i = 0; i < np; ++i ) 2021-07-10T04:21:55,229 | ^ 2021-07-10T04:21:55,229 src/matrix.c:2299:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,229 2299 | for( j = 0; j < np; ++j ) 2021-07-10T04:21:55,230 | ^ 2021-07-10T04:21:55,230 src/matrix.c:2304:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,230 2304 | for( i = 0; i < np; ++i ) 2021-07-10T04:21:55,231 | ^ 2021-07-10T04:21:55,232 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,232 2309 | for( i = 0; i < np; ++i ) 2021-07-10T04:21:55,232 | ^ 2021-07-10T04:21:55,232 src/matrix.c:2312:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-10T04:21:55,233 2312 | for( j = 0; j < np; ++j ) 2021-07-10T04:21:55,233 | ^ 2021-07-10T04:21:55,235 src/matrix.c:2257:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:21:55,235 2257 | double *vm = NULL; 2021-07-10T04:21:55,235 | ^~ 2021-07-10T04:22:00,708 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/mc_moves.c -o build/temp.linux-armv7l-3.9/src/mc_moves.o 2021-07-10T04:22:01,219 src/mc_moves.c: In function ‘IdentityChangeAdsorbateMove’: 2021-07-10T04:22:01,223 src/mc_moves.c:6154:20: warning: unused variable ‘type’ [-Wunused-variable] 2021-07-10T04:22:01,223 6154 | int i,d,nr_atoms,type; 2021-07-10T04:22:01,223 | ^~~~ 2021-07-10T04:22:01,227 src/mc_moves.c:6154:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2021-07-10T04:22:01,227 6154 | int i,d,nr_atoms,type; 2021-07-10T04:22:01,227 | ^~~~~~~~ 2021-07-10T04:22:01,240 src/mc_moves.c: In function ‘IdentityChangeCationMove’: 2021-07-10T04:22:01,243 src/mc_moves.c:6455:20: warning: unused variable ‘type’ [-Wunused-variable] 2021-07-10T04:22:01,244 6455 | int i,d,nr_atoms,type; 2021-07-10T04:22:01,244 | ^~~~ 2021-07-10T04:22:01,247 src/mc_moves.c:6455:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2021-07-10T04:22:01,248 6455 | int i,d,nr_atoms,type; 2021-07-10T04:22:01,248 | ^~~~~~~~ 2021-07-10T04:22:01,342 src/mc_moves.c: In function ‘VolumeMove’: 2021-07-10T04:22:01,347 src/mc_moves.c:7932:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,347 7932 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-10T04:22:01,347 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:01,382 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2021-07-10T04:22:01,387 src/mc_moves.c:8443:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,387 8443 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-10T04:22:01,388 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:01,398 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2021-07-10T04:22:01,403 src/mc_moves.c:9041:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,403 9041 | REAL PartialFugacityA,PartialFugacityB; 2021-07-10T04:22:01,403 | ^~~~~~~~~~~~~~~~ 2021-07-10T04:22:01,408 src/mc_moves.c:9041:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,409 9041 | REAL PartialFugacityA,PartialFugacityB; 2021-07-10T04:22:01,409 | ^~~~~~~~~~~~~~~~ 2021-07-10T04:22:01,452 src/mc_moves.c: In function ‘ChiralInversionMove’: 2021-07-10T04:22:01,458 src/mc_moves.c:9804:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,458 9804 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-10T04:22:01,458 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:01,809 src/mc_moves.c: In function ‘HybridNVEMove’: 2021-07-10T04:22:01,818 src/mc_moves.c:13405:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,819 13405 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-10T04:22:01,819 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:01,885 src/mc_moves.c: In function ‘HybridNPHMove’: 2021-07-10T04:22:01,895 src/mc_moves.c:13959:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,895 13959 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-10T04:22:01,895 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:01,971 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2021-07-10T04:22:01,980 src/mc_moves.c:14504:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:01,981 14504 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-10T04:22:01,981 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:02,034 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2021-07-10T04:22:02,045 src/mc_moves.c:15099:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:02,045 15099 | int condition,MostProbableIndex; 2021-07-10T04:22:02,046 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:22:02,863 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2021-07-10T04:22:02,876 src/mc_moves.c:18867:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:02,876 18867 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2021-07-10T04:22:02,876 | ^~~~~ 2021-07-10T04:22:03,159 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2021-07-10T04:22:03,173 src/mc_moves.c:20381:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:03,173 20381 | REAL PartialFugacity,UTailDelta[2]; 2021-07-10T04:22:03,173 | ^~~~~~~~~~~~~~~ 2021-07-10T04:22:03,545 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2021-07-10T04:22:03,560 src/mc_moves.c:21956:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:03,560 21956 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2021-07-10T04:22:03,560 | ^~~~~ 2021-07-10T04:22:03,937 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2021-07-10T04:22:03,954 src/mc_moves.c:23779:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:03,954 23779 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2021-07-10T04:22:03,954 | ^~~~~ 2021-07-10T04:22:04,172 src/mc_moves.c: In function ‘CFCRXMCLambdaChangeMove’: 2021-07-10T04:22:04,187 src/mc_moves.c:26079:58: warning: implicit declaration of function ‘numberOfReactionMoleculesForComponent’ [-Wimplicit-function-declaration] 2021-07-10T04:22:04,187 26079 | N=Components[i].NumberOfMolecules[CurrentSystem]-numberOfReactionMoleculesForComponent(i); 2021-07-10T04:22:04,187 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:04,252 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2021-07-10T04:22:04,270 src/mc_moves.c:26587:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:22:04,271 26587 | int condition,MostProbableIndex; 2021-07-10T04:22:04,271 | ^~~~~~~~~~~~~~~~~ 2021-07-10T04:22:04,289 src/mc_moves.c:26586:7: warning: unused variable ‘FractionalMolecule’ [-Wunused-variable] 2021-07-10T04:22:04,289 26586 | int FractionalMolecule,index; 2021-07-10T04:22:04,289 | ^~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:04,328 src/mc_moves.c: In function ‘PrintRXMCStatistics’: 2021-07-10T04:22:04,346 src/mc_moves.c:26708:9: warning: unused variable ‘j’ [-Wunused-variable] 2021-07-10T04:22:04,347 26708 | int i,j,k; 2021-07-10T04:22:04,347 | ^ 2021-07-10T04:22:04,376 src/mc_moves.c: In function ‘AllocateMCMovesMemory’: 2021-07-10T04:22:04,395 src/mc_moves.c:27007:11: warning: unused variable ‘k’ [-Wunused-variable] 2021-07-10T04:22:04,395 27007 | int i,j,k; 2021-07-10T04:22:04,395 | ^ 2021-07-10T04:22:37,325 src/mc_moves.c: In function ‘GibbsParticleTransferAdsorbateMove’: 2021-07-10T04:22:37,332 src/mc_moves.c:11315:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:37,332 11315 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2021-07-10T04:22:37,332 | ^~ 2021-07-10T04:22:37,339 src/mc_moves.c:11193:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:37,340 11193 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2021-07-10T04:22:37,340 | ^~ 2021-07-10T04:22:38,257 src/mc_moves.c: In function ‘GibbsParticleTransferCationMove’: 2021-07-10T04:22:38,263 src/mc_moves.c:11708:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:38,263 11708 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2021-07-10T04:22:38,263 | ^~ 2021-07-10T04:22:38,271 src/mc_moves.c:11586:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:38,271 11586 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2021-07-10T04:22:38,271 | ^~ 2021-07-10T04:22:48,392 src/mc_moves.c: In function ‘CFSwapLambaAdsorbateMove’: 2021-07-10T04:22:48,401 src/mc_moves.c:15841:111: warning: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:48,401 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2021-07-10T04:22:48,402 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:48,412 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:48,412 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2021-07-10T04:22:48,412 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:48,412 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeChargeFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:48,422 src/mc_moves.c:15788:39: warning: ‘UTailDelta’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:48,423 15788 | UTailCorrection[CurrentSystem]+=UTailDelta; 2021-07-10T04:22:48,423 | ^~ 2021-07-10T04:22:49,693 src/mc_moves.c: In function ‘CFSwapLambaCationMove’: 2021-07-10T04:22:49,703 src/mc_moves.c:16601:105: warning: ‘UCationIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:49,703 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2021-07-10T04:22:49,703 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:49,714 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:49,714 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2021-07-10T04:22:49,714 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:22:49,714 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeChargeFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:49,725 src/mc_moves.c:16548:39: warning: ‘UTailDelta’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:22:49,725 16548 | UTailCorrection[CurrentSystem]+=UTailDelta; 2021-07-10T04:22:49,726 | ^~ 2021-07-10T04:23:17,557 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/minimization.c -o build/temp.linux-armv7l-3.9/src/minimization.o 2021-07-10T04:23:17,850 src/minimization.c: In function ‘ConvertHessianFromCartesianToFractional’: 2021-07-10T04:23:17,851 src/minimization.c:2981:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2021-07-10T04:23:17,851 2981 | int TypeMolA,TypeMolB; 2021-07-10T04:23:17,851 | ^~~~~~~~ 2021-07-10T04:23:17,853 src/minimization.c:2981:7: warning: unused variable ‘TypeMolA’ [-Wunused-variable] 2021-07-10T04:23:17,853 2981 | int TypeMolA,TypeMolB; 2021-07-10T04:23:17,853 | ^~~~~~~~ 2021-07-10T04:23:17,854 src/minimization.c:2980:23: warning: unused variable ‘tempBox’ [-Wunused-variable] 2021-07-10T04:23:17,854 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2021-07-10T04:23:17,854 | ^~~~~~~ 2021-07-10T04:23:17,856 src/minimization.c:2980:20: warning: unused variable ‘fH’ [-Wunused-variable] 2021-07-10T04:23:17,856 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2021-07-10T04:23:17,856 | ^~ 2021-07-10T04:23:17,857 src/minimization.c:2980:18: warning: unused variable ‘H’ [-Wunused-variable] 2021-07-10T04:23:17,858 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2021-07-10T04:23:17,858 | ^ 2021-07-10T04:23:17,859 src/minimization.c:2979:15: warning: unused variable ‘fgrad’ [-Wunused-variable] 2021-07-10T04:23:17,859 2979 | VECTOR grad,fgrad; 2021-07-10T04:23:17,859 | ^~~~~ 2021-07-10T04:23:17,861 src/minimization.c:2979:10: warning: unused variable ‘grad’ [-Wunused-variable] 2021-07-10T04:23:17,861 2979 | VECTOR grad,fgrad; 2021-07-10T04:23:17,861 | ^~~~ 2021-07-10T04:23:17,862 src/minimization.c:2978:13: warning: unused variable ‘Type’ [-Wunused-variable] 2021-07-10T04:23:17,862 2978 | int m,l,A,Type; 2021-07-10T04:23:17,862 | ^~~~ 2021-07-10T04:23:17,864 src/minimization.c:2978:11: warning: unused variable ‘A’ [-Wunused-variable] 2021-07-10T04:23:17,864 2978 | int m,l,A,Type; 2021-07-10T04:23:17,864 | ^ 2021-07-10T04:23:17,865 src/minimization.c:2978:9: warning: unused variable ‘l’ [-Wunused-variable] 2021-07-10T04:23:17,865 2978 | int m,l,A,Type; 2021-07-10T04:23:17,866 | ^ 2021-07-10T04:23:17,867 src/minimization.c:2978:7: warning: unused variable ‘m’ [-Wunused-variable] 2021-07-10T04:23:17,867 2978 | int m,l,A,Type; 2021-07-10T04:23:17,867 | ^ 2021-07-10T04:23:17,869 src/minimization.c:2977:31: warning: unused variable ‘index’ [-Wunused-variable] 2021-07-10T04:23:17,869 2977 | INT_VECTOR3 index_i,index_j,index; 2021-07-10T04:23:17,869 | ^~~~~ 2021-07-10T04:23:17,870 src/minimization.c:2977:23: warning: unused variable ‘index_j’ [-Wunused-variable] 2021-07-10T04:23:17,870 2977 | INT_VECTOR3 index_i,index_j,index; 2021-07-10T04:23:17,870 | ^~~~~~~ 2021-07-10T04:23:17,872 src/minimization.c:2977:15: warning: unused variable ‘index_i’ [-Wunused-variable] 2021-07-10T04:23:17,872 2977 | INT_VECTOR3 index_i,index_j,index; 2021-07-10T04:23:17,872 | ^~~~~~~ 2021-07-10T04:23:17,873 src/minimization.c:2976:10: warning: unused variable ‘f2’ [-Wunused-variable] 2021-07-10T04:23:17,873 2976 | int f1,f2; 2021-07-10T04:23:17,874 | ^~ 2021-07-10T04:23:17,875 src/minimization.c:2976:7: warning: unused variable ‘f1’ [-Wunused-variable] 2021-07-10T04:23:17,875 2976 | int f1,f2; 2021-07-10T04:23:17,875 | ^~ 2021-07-10T04:23:17,876 src/minimization.c:2975:25: warning: unused variable ‘j’ [-Wunused-variable] 2021-07-10T04:23:17,877 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,877 | ^ 2021-07-10T04:23:17,878 src/minimization.c:2975:23: warning: unused variable ‘i’ [-Wunused-variable] 2021-07-10T04:23:17,878 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,878 | ^ 2021-07-10T04:23:17,880 src/minimization.c:2975:20: warning: unused variable ‘ja’ [-Wunused-variable] 2021-07-10T04:23:17,880 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,880 | ^~ 2021-07-10T04:23:17,881 src/minimization.c:2975:17: warning: unused variable ‘ia’ [-Wunused-variable] 2021-07-10T04:23:17,881 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,881 | ^~ 2021-07-10T04:23:17,883 src/minimization.c:2975:14: warning: unused variable ‘jg’ [-Wunused-variable] 2021-07-10T04:23:17,883 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,883 | ^~ 2021-07-10T04:23:17,885 src/minimization.c:2975:11: warning: unused variable ‘ig’ [-Wunused-variable] 2021-07-10T04:23:17,885 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,885 | ^~ 2021-07-10T04:23:17,886 src/minimization.c:2975:9: warning: unused variable ‘J’ [-Wunused-variable] 2021-07-10T04:23:17,886 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,886 | ^ 2021-07-10T04:23:17,888 src/minimization.c:2975:7: warning: unused variable ‘I’ [-Wunused-variable] 2021-07-10T04:23:17,888 2975 | int I,J,ig,jg,ia,ja,i,j; 2021-07-10T04:23:17,888 | ^ 2021-07-10T04:23:17,894 src/minimization.c: In function ‘CalculateBakerSaddlePointStepSize’: 2021-07-10T04:23:17,896 src/minimization.c:3704:30: warning: variable ‘Lambda2’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:17,896 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2021-07-10T04:23:17,897 | ^~~~~~~ 2021-07-10T04:23:17,898 src/minimization.c:3704:22: warning: variable ‘Lambda1’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:17,899 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2021-07-10T04:23:17,899 | ^~~~~~~ 2021-07-10T04:23:17,951 src/minimization.c: In function ‘BakerMinimization’: 2021-07-10T04:23:17,953 src/minimization.c:4129:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:17,954 4129 | REAL StepSizePrevious,StepSize; 2021-07-10T04:23:17,954 | ^~~~~~~~~~~~~~~~ 2021-07-10T04:23:17,977 src/minimization.c: In function ‘NewtonRaphsonMinimization’: 2021-07-10T04:23:17,980 src/minimization.c:4554:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:17,980 4554 | REAL StepSizePrevious,StepSize; 2021-07-10T04:23:17,980 | ^~~~~~~~~~~~~~~~ 2021-07-10T04:23:18,010 src/minimization.c: In function ‘ComputeElasticConstantsAfterMinimization’: 2021-07-10T04:23:18,013 src/minimization.c:4935:19: warning: variable ‘EigenValues’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:18,013 4935 | REAL *Gradient,*EigenValues; 2021-07-10T04:23:18,013 | ^~~~~~~~~~~ 2021-07-10T04:23:27,862 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/minimization_simulation.c -o build/temp.linux-armv7l-3.9/src/minimization_simulation.o 2021-07-10T04:23:28,059 src/minimization_simulation.c: In function ‘MinimalizationSimulation’: 2021-07-10T04:23:28,060 src/minimization_simulation.c:60:14: warning: variable ‘ReferenceEnergy’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:28,060 60 | REAL Drift,ReferenceEnergy,ran; 2021-07-10T04:23:28,060 | ^~~~~~~~~~~~~~~ 2021-07-10T04:23:28,060 src/minimization_simulation.c:60:8: warning: variable ‘Drift’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:28,060 60 | REAL Drift,ReferenceEnergy,ran; 2021-07-10T04:23:28,060 | ^~~~~ 2021-07-10T04:23:28,401 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/molecular_dynamics.c -o build/temp.linux-armv7l-3.9/src/molecular_dynamics.o 2021-07-10T04:23:29,205 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/molecule.c -o build/temp.linux-armv7l-3.9/src/molecule.o 2021-07-10T04:23:29,487 src/molecule.c: In function ‘ReadComponentDefinition’: 2021-07-10T04:23:29,487 src/molecule.c:1030:7: warning: variable ‘atom_nr’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:29,487 1030 | int atom_nr; 2021-07-10T04:23:29,488 | ^~~~~~~ 2021-07-10T04:23:31,908 src/molecule.c: In function ‘ReadPseudoAtomsDefinitions’: 2021-07-10T04:23:31,909 src/molecule.c:515:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2021-07-10T04:23:31,909 515 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2021-07-10T04:23:31,909 | ^~ ~~~~~~~~~~ 2021-07-10T04:23:31,909 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:31,909 from src/molecule.c:31: 2021-07-10T04:23:31,909 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 42 or more bytes (assuming 297) into a destination of size 256 2021-07-10T04:23:31,910 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:31,910 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:31,910 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:31,910 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:35,692 src/molecule.c: In function ‘ReadBiasingProfile’: 2021-07-10T04:23:35,696 src/molecule.c:5571:35: warning: ‘%s’ directive writing up to 255 bytes into a region of size 242 [-Wformat-overflow=] 2021-07-10T04:23:35,696 5571 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2021-07-10T04:23:35,696 | ^~ 2021-07-10T04:23:35,696 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:35,696 from src/molecule.c:31: 2021-07-10T04:23:35,696 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 21 and 286 bytes into a destination of size 256 2021-07-10T04:23:35,696 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:35,697 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:35,697 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:35,697 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:36,435 src/molecule.c: In function ‘ReadComponentDefinition’: 2021-07-10T04:23:36,435 src/molecule.c:1047:21: warning: ‘.def’ directive writing 4 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2021-07-10T04:23:36,436 1047 | sprintf(buffer,"%s.def",Components[comp].Name); 2021-07-10T04:23:36,436 | ^~~~ 2021-07-10T04:23:36,436 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:36,436 from src/molecule.c:31: 2021-07-10T04:23:36,436 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 5 and 260 bytes into a destination of size 256 2021-07-10T04:23:36,436 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:36,436 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:36,436 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:36,437 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:36,437 src/molecule.c:1050:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2021-07-10T04:23:36,437 1050 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2021-07-10T04:23:36,437 | ^~ 2021-07-10T04:23:36,437 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:36,437 from src/molecule.c:31: 2021-07-10T04:23:36,437 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 29 or more bytes (assuming 539) into a destination of size 256 2021-07-10T04:23:36,438 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:36,438 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:36,438 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:36,438 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:41,543 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/molecule_properties.c -o build/temp.linux-armv7l-3.9/src/molecule_properties.o 2021-07-10T04:23:42,359 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/monte_carlo.c -o build/temp.linux-armv7l-3.9/src/monte_carlo.o 2021-07-10T04:23:46,575 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/movies.c -o build/temp.linux-armv7l-3.9/src/movies.o 2021-07-10T04:23:46,790 src/movies.c: In function ‘WriteVTK’: 2021-07-10T04:23:46,790 src/movies.c:483:8: warning: unused variable ‘y’ [-Wunused-variable] 2021-07-10T04:23:46,790 483 | REAL y=0.5; 2021-07-10T04:23:46,791 | ^ 2021-07-10T04:23:46,791 src/movies.c:405:10: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:46,791 405 | VECTOR fac,pos; 2021-07-10T04:23:46,791 | ^~~ 2021-07-10T04:23:46,800 src/movies.c: In function ‘SamplePDBMovies’: 2021-07-10T04:23:46,801 src/movies.c:1361:7: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:46,801 1361 | int index; 2021-07-10T04:23:46,801 | ^~~~~ 2021-07-10T04:23:46,817 src/movies.c: In function ‘FreeEnergyProfile3D’: 2021-07-10T04:23:46,818 src/movies.c:1875:18: warning: variable ‘InverseCell’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:46,818 1875 | REAL_MATRIX3x3 InverseCell; 2021-07-10T04:23:46,818 | ^~~~~~~~~~~ 2021-07-10T04:23:46,819 src/movies.c:1868:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:46,819 1868 | int x,y,z,typeA,index,temp,start; 2021-07-10T04:23:46,819 | ^~~~~ 2021-07-10T04:23:46,820 src/movies.c:1867:13: warning: unused variable ‘l’ [-Wunused-variable] 2021-07-10T04:23:46,820 1867 | int i,j,k,l; 2021-07-10T04:23:46,820 | ^ 2021-07-10T04:23:46,821 src/movies.c:1867:11: warning: unused variable ‘k’ [-Wunused-variable] 2021-07-10T04:23:46,821 1867 | int i,j,k,l; 2021-07-10T04:23:46,821 | ^ 2021-07-10T04:23:46,822 src/movies.c:1867:9: warning: unused variable ‘j’ [-Wunused-variable] 2021-07-10T04:23:46,822 1867 | int i,j,k,l; 2021-07-10T04:23:46,822 | ^ 2021-07-10T04:23:47,664 src/movies.c: In function ‘WriteVTK’: 2021-07-10T04:23:47,664 src/movies.c:474:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 228 and 238 [-Wformat-overflow=] 2021-07-10T04:23:47,664 474 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2021-07-10T04:23:47,664 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:47,664 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:47,664 from src/movies.c:32: 2021-07-10T04:23:47,665 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 23 and 288 bytes into a destination of size 256 2021-07-10T04:23:47,665 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:47,665 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,665 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:47,665 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,667 src/movies.c:640:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2021-07-10T04:23:47,667 640 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2021-07-10T04:23:47,667 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:47,667 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:47,668 from src/movies.c:32: 2021-07-10T04:23:47,668 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 32 and 297 bytes into a destination of size 256 2021-07-10T04:23:47,668 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:47,668 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,668 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:47,668 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,670 src/movies.c:772:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2021-07-10T04:23:47,670 772 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2021-07-10T04:23:47,671 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:47,671 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:47,671 from src/movies.c:32: 2021-07-10T04:23:47,671 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 32 and 297 bytes into a destination of size 256 2021-07-10T04:23:47,671 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:47,671 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,671 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:47,672 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,673 src/movies.c:852:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2021-07-10T04:23:47,673 852 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2021-07-10T04:23:47,673 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:47,673 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:47,673 from src/movies.c:32: 2021-07-10T04:23:47,673 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 32 and 297 bytes into a destination of size 256 2021-07-10T04:23:47,674 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:47,674 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,674 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:47,674 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,676 src/movies.c:1028:45: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 221 and 231 [-Wformat-overflow=] 2021-07-10T04:23:47,676 1028 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2021-07-10T04:23:47,677 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:47,677 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:47,677 from src/movies.c:32: 2021-07-10T04:23:47,677 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 30 and 295 bytes into a destination of size 256 2021-07-10T04:23:47,677 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:47,677 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,678 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:47,678 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,680 src/movies.c:1245:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2021-07-10T04:23:47,680 1245 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2021-07-10T04:23:47,680 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:47,680 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:47,681 from src/movies.c:32: 2021-07-10T04:23:47,681 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 24 and 299 bytes into a destination of size 256 2021-07-10T04:23:47,681 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:47,681 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,681 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:47,681 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,681 src/movies.c:1211:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2021-07-10T04:23:47,682 1211 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2021-07-10T04:23:47,682 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:47,682 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:47,682 from src/movies.c:32: 2021-07-10T04:23:47,682 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 24 and 299 bytes into a destination of size 256 2021-07-10T04:23:47,682 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:47,683 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:47,683 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:47,683 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,174 src/movies.c: In function ‘WriteMolecule’: 2021-07-10T04:23:49,175 src/movies.c:1332:30: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 236 and 246 [-Wformat-overflow=] 2021-07-10T04:23:49,175 1332 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2021-07-10T04:23:49,175 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:49,175 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:49,176 from src/movies.c:32: 2021-07-10T04:23:49,176 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 15 and 280 bytes into a destination of size 256 2021-07-10T04:23:49,176 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:49,176 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,176 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:49,176 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,312 src/movies.c: In function ‘SamplePDBMovies’: 2021-07-10T04:23:49,313 src/movies.c:1554:36: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2021-07-10T04:23:49,313 1554 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-10T04:23:49,313 | ^~~ 2021-07-10T04:23:49,313 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:49,313 from src/movies.c:32: 2021-07-10T04:23:49,313 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 5 2021-07-10T04:23:49,313 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:49,314 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,314 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:49,314 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,314 src/movies.c:1555:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2021-07-10T04:23:49,314 1555 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-10T04:23:49,314 | ^~~ 2021-07-10T04:23:49,314 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:49,314 from src/movies.c:32: 2021-07-10T04:23:49,315 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 3 2021-07-10T04:23:49,315 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:49,315 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,315 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:49,315 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,315 src/movies.c:1594:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2021-07-10T04:23:49,315 1594 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-10T04:23:49,315 | ^~~ 2021-07-10T04:23:49,316 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:49,316 from src/movies.c:32: 2021-07-10T04:23:49,316 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 5 2021-07-10T04:23:49,316 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:49,316 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,316 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:49,316 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,316 src/movies.c:1595:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2021-07-10T04:23:49,317 1595 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-10T04:23:49,317 | ^~~ 2021-07-10T04:23:49,317 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:49,317 from src/movies.c:32: 2021-07-10T04:23:49,317 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 3 2021-07-10T04:23:49,317 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:49,317 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,317 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:49,318 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,318 src/movies.c:1630:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2021-07-10T04:23:49,318 1630 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-10T04:23:49,318 | ^~~ 2021-07-10T04:23:49,318 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:49,318 from src/movies.c:32: 2021-07-10T04:23:49,318 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 5 2021-07-10T04:23:49,319 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:49,319 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,319 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:49,319 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,319 src/movies.c:1631:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2021-07-10T04:23:49,319 1631 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-10T04:23:49,319 | ^~~ 2021-07-10T04:23:49,319 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:49,320 from src/movies.c:32: 2021-07-10T04:23:49,320 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 3 2021-07-10T04:23:49,320 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:49,320 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:49,320 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:49,320 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,052 src/movies.c: In function ‘FreeEnergyProfile3D’: 2021-07-10T04:23:50,053 src/movies.c:1990:53: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 227 [-Wformat-overflow=] 2021-07-10T04:23:50,054 1990 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2021-07-10T04:23:50,054 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:50,054 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:50,054 from src/movies.c:32: 2021-07-10T04:23:50,054 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 34 and 299 bytes into a destination of size 256 2021-07-10T04:23:50,054 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:50,054 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,055 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:50,055 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,449 src/movies.c: In function ‘WriteSnapshotTinker’: 2021-07-10T04:23:50,451 src/movies.c:2202:49: warning: ‘%s’ directive writing up to 255 bytes into a region of size 231 [-Wformat-overflow=] 2021-07-10T04:23:50,451 2202 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2021-07-10T04:23:50,451 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:50,451 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:50,451 from src/movies.c:32: 2021-07-10T04:23:50,451 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 31 or more bytes (assuming 286) into a destination of size 256 2021-07-10T04:23:50,452 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:50,452 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,452 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:50,452 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,453 src/movies.c:2223:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2021-07-10T04:23:50,453 2223 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2021-07-10T04:23:50,453 | ^~~ 2021-07-10T04:23:50,453 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:50,453 from src/movies.c:32: 2021-07-10T04:23:50,454 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 4 and 32 bytes into a destination of size 10 2021-07-10T04:23:50,454 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:50,454 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,454 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:50,454 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,455 src/movies.c:2245:29: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2021-07-10T04:23:50,455 2245 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2021-07-10T04:23:50,455 | ^~~ 2021-07-10T04:23:50,455 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:50,455 from src/movies.c:32: 2021-07-10T04:23:50,456 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 4 and 32 bytes into a destination of size 10 2021-07-10T04:23:50,456 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:50,456 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,456 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:50,456 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,457 src/movies.c:2259:43: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 225 and 235 [-Wformat-overflow=] 2021-07-10T04:23:50,457 2259 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2021-07-10T04:23:50,458 | ^~ ~~~~~~~~~~~~~~ 2021-07-10T04:23:50,458 In file included from /usr/include/stdio.h:867, 2021-07-10T04:23:50,458 from src/movies.c:32: 2021-07-10T04:23:50,458 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 26 and 291 bytes into a destination of size 256 2021-07-10T04:23:50,458 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:23:50,458 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:50,458 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:23:50,458 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:51,028 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/numerical.c -o build/temp.linux-armv7l-3.9/src/numerical.o 2021-07-10T04:23:51,243 src/numerical.c: In function ‘ComputeGradientsNumerically’: 2021-07-10T04:23:51,243 src/numerical.c:411:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,243 411 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2; 2021-07-10T04:23:51,243 | ^~~~~~~~~~~~~ 2021-07-10T04:23:51,244 src/numerical.c:410:14: warning: variable ‘force’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,244 410 | VECTOR pos,force,derivative; 2021-07-10T04:23:51,244 | ^~~~~ 2021-07-10T04:23:51,244 src/numerical.c:409:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,244 409 | int type; 2021-07-10T04:23:51,244 | ^~~~ 2021-07-10T04:23:51,332 src/numerical.c: In function ‘ComputeStrainDerivativeNumerically’: 2021-07-10T04:23:51,333 src/numerical.c:1863:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,334 1863 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2,det; 2021-07-10T04:23:51,334 | ^~~~~~~~~~~~~ 2021-07-10T04:23:51,382 src/numerical.c: In function ‘ComputeStrainSecondDerivativeNumerically’: 2021-07-10T04:23:51,383 src/numerical.c:2897:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,384 2897 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2021-07-10T04:23:51,384 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:51,397 src/numerical.c: In function ‘TestEnergyForcesHessian’: 2021-07-10T04:23:51,399 src/numerical.c:3965:14: warning: variable ‘vel’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,399 3965 | VECTOR pos,vel,force; 2021-07-10T04:23:51,399 | ^~~ 2021-07-10T04:23:51,401 src/numerical.c:3964:15: warning: variable ‘AtomType’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,401 3964 | int MolType,AtomType; 2021-07-10T04:23:51,401 | ^~~~~~~~ 2021-07-10T04:23:51,407 src/numerical.c: In function ‘TestElectricField2’: 2021-07-10T04:23:51,410 src/numerical.c:4059:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,410 4059 | REAL EnergyCentral,EnergyForward2,EnergyForward1,EnergyBackward1,EnergyBackward2; 2021-07-10T04:23:51,410 | ^~~~~~~~~~~~~ 2021-07-10T04:23:51,433 src/numerical.c: In function ‘ComputeCrossTermNumerically’: 2021-07-10T04:23:51,436 src/numerical.c:4455:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,436 4455 | int type; 2021-07-10T04:23:51,436 | ^~~~ 2021-07-10T04:23:51,447 src/numerical.c: In function ‘AddRemainderOfCrossTermNumerically’: 2021-07-10T04:23:51,449 src/numerical.c:4944:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,450 4944 | int type; 2021-07-10T04:23:51,450 | ^~~~ 2021-07-10T04:23:51,481 src/numerical.c: In function ‘AddRemainderOfBornTermNumerically’: 2021-07-10T04:23:51,483 src/numerical.c:5158:21: warning: unused variable ‘k3’ [-Wunused-variable] 2021-07-10T04:23:51,484 5158 | int n,ncell,k1,k2,k3; 2021-07-10T04:23:51,484 | ^~ 2021-07-10T04:23:51,487 src/numerical.c:5158:18: warning: unused variable ‘k2’ [-Wunused-variable] 2021-07-10T04:23:51,487 5158 | int n,ncell,k1,k2,k3; 2021-07-10T04:23:51,487 | ^~ 2021-07-10T04:23:51,490 src/numerical.c:5158:15: warning: unused variable ‘k1’ [-Wunused-variable] 2021-07-10T04:23:51,490 5158 | int n,ncell,k1,k2,k3; 2021-07-10T04:23:51,490 | ^~ 2021-07-10T04:23:51,493 src/numerical.c:5158:9: warning: unused variable ‘ncell’ [-Wunused-variable] 2021-07-10T04:23:51,493 5158 | int n,ncell,k1,k2,k3; 2021-07-10T04:23:51,493 | ^~~~~ 2021-07-10T04:23:51,496 src/numerical.c:5155:28: warning: unused variable ‘StoredReplicaBox’ [-Wunused-variable] 2021-07-10T04:23:51,496 5155 | REAL_MATRIX3x3 StoredBox,StoredReplicaBox,strain; 2021-07-10T04:23:51,497 | ^~~~~~~~~~~~~~~~ 2021-07-10T04:23:51,499 src/numerical.c:5153:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,500 5153 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2021-07-10T04:23:51,500 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:23:51,503 src/numerical.c:5152:8: warning: unused variable ‘det’ [-Wunused-variable] 2021-07-10T04:23:51,503 5152 | REAL det; 2021-07-10T04:23:51,503 | ^~~ 2021-07-10T04:23:51,510 src/numerical.c: In function ‘ComputeCrossTermNumericallyMinimalSet’: 2021-07-10T04:23:51,513 src/numerical.c:6290:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:23:51,514 6290 | int type; 2021-07-10T04:23:51,515 | ^~~~ 2021-07-10T04:24:07,628 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/output.c -o build/temp.linux-armv7l-3.9/src/output.o 2021-07-10T04:24:07,746 In file included from src/output.c:36: 2021-07-10T04:24:07,747 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:21:2: warning: #warning "The header is deprecated and will be removed." [-Wcpp] 2021-07-10T04:24:07,747 21 | #warning "The header is deprecated and will be removed." 2021-07-10T04:24:07,747 | ^~~~~~~ 2021-07-10T04:24:07,868 src/output.c: In function ‘PrintPreSimulationStatusCurrentSystem’: 2021-07-10T04:24:07,869 src/output.c:208:38: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time] 2021-07-10T04:24:07,869 208 | char my_date[] = "Compile Date = " __DATE__; 2021-07-10T04:24:07,869 | ^~~~~~~~ 2021-07-10T04:24:07,870 src/output.c:209:38: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time] 2021-07-10T04:24:07,870 209 | char my_time[] = "Compile Time = " __TIME__; 2021-07-10T04:24:07,870 | ^~~~~~~~ 2021-07-10T04:24:07,871 src/output.c:288:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2021-07-10T04:24:07,871 288 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2021-07-10T04:24:07,872 | ^~~~~~ 2021-07-10T04:24:07,872 In file included from src/output.c:36: 2021-07-10T04:24:07,872 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2021-07-10T04:24:07,872 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2021-07-10T04:24:07,872 | ^~~~~~ 2021-07-10T04:24:07,873 src/output.c:293:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2021-07-10T04:24:07,873 293 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2021-07-10T04:24:07,873 | ^~~~~~ 2021-07-10T04:24:07,874 In file included from src/output.c:36: 2021-07-10T04:24:07,874 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2021-07-10T04:24:07,874 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2021-07-10T04:24:07,874 | ^~~~~~ 2021-07-10T04:24:07,874 src/output.c:298:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2021-07-10T04:24:07,875 298 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2021-07-10T04:24:07,875 | ^~~~~~ 2021-07-10T04:24:07,875 In file included from src/output.c:36: 2021-07-10T04:24:07,875 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2021-07-10T04:24:07,875 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2021-07-10T04:24:07,875 | ^~~~~~ 2021-07-10T04:24:07,876 src/output.c:303:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2021-07-10T04:24:07,876 303 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2021-07-10T04:24:07,876 | ^~~~~~ 2021-07-10T04:24:07,876 In file included from src/output.c:36: 2021-07-10T04:24:07,876 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2021-07-10T04:24:07,877 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2021-07-10T04:24:07,877 | ^~~~~~ 2021-07-10T04:24:09,649 In file included from /usr/include/string.h:495, 2021-07-10T04:24:09,649 from src/output.c:33: 2021-07-10T04:24:09,649 In function ‘strncpy’, 2021-07-10T04:24:09,650 inlined from ‘OpenOutputFile’ at src/output.c:170:7: 2021-07-10T04:24:09,650 /usr/include/arm-linux-gnueabihf/bits/string_fortified.h:106:10: warning: ‘__builtin_strncpy’ output may be truncated copying 250 bytes from a string of length 1023 [-Wstringop-truncation] 2021-07-10T04:24:09,650 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); 2021-07-10T04:24:09,650 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:09,650 src/output.c: In function ‘OpenOutputFile’: 2021-07-10T04:24:09,651 src/output.c:171:26: warning: ‘.data’ directive writing 5 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2021-07-10T04:24:09,651 171 | sprintf(buffer2,"%s.data",buffer2); 2021-07-10T04:24:09,651 | ^~~~~ 2021-07-10T04:24:09,651 In file included from /usr/include/stdio.h:867, 2021-07-10T04:24:09,651 from src/output.c:32: 2021-07-10T04:24:09,651 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 6 and 261 bytes into a destination of size 256 2021-07-10T04:24:09,651 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:24:09,652 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:09,652 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:24:09,652 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:28,516 In file included from /usr/include/string.h:495, 2021-07-10T04:24:28,517 from src/output.c:33: 2021-07-10T04:24:28,517 In function ‘strncpy’, 2021-07-10T04:24:28,517 inlined from ‘ReadRestartOutput’ at src/output.c:7847:5: 2021-07-10T04:24:28,517 /usr/include/arm-linux-gnueabihf/bits/string_fortified.h:106:10: warning: ‘__builtin_strncpy’ output may be truncated copying 250 bytes from a string of length 1023 [-Wstringop-truncation] 2021-07-10T04:24:28,517 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); 2021-07-10T04:24:28,517 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:28,519 src/output.c: In function ‘ReadRestartOutput’: 2021-07-10T04:24:28,526 src/output.c:7848:24: warning: ‘.data’ directive writing 5 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2021-07-10T04:24:28,527 7848 | sprintf(buffer2,"%s.data",buffer2); 2021-07-10T04:24:28,527 | ^~~~~ 2021-07-10T04:24:28,527 In file included from /usr/include/stdio.h:867, 2021-07-10T04:24:28,527 from src/output.c:32: 2021-07-10T04:24:28,527 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 6 and 261 bytes into a destination of size 256 2021-07-10T04:24:28,527 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:24:28,527 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:28,528 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:24:28,528 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:29,611 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/potentials.c -o build/temp.linux-armv7l-3.9/src/potentials.o 2021-07-10T04:24:29,954 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2021-07-10T04:24:29,957 src/potentials.c:4246:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 2021-07-10T04:24:29,957 4246 | if(NumberOfInteractions>0) 2021-07-10T04:24:29,958 | ^~ 2021-07-10T04:24:29,961 src/potentials.c:4247:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 2021-07-10T04:24:29,961 4247 | fscanf(FilePtr,"%*[^\n]");fscanf(FilePtr,"%*c"); //skip line 2021-07-10T04:24:29,961 | ^~~~~~ 2021-07-10T04:24:30,084 src/potentials.c: In function ‘PotentialValue’: 2021-07-10T04:24:30,089 src/potentials.c:5692:46: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,089 5692 | REAL rri2,rri4,rri6,rri8,rri10,rri12,rri14,rri16; 2021-07-10T04:24:30,089 | ^~~~~ 2021-07-10T04:24:30,094 src/potentials.c:5687:10: warning: unused variable ‘U’ [-Wunused-variable] 2021-07-10T04:24:30,095 5687 | REAL r,U,rri3,rri3_2,rri5; 2021-07-10T04:24:30,095 | ^ 2021-07-10T04:24:30,138 src/potentials.c: In function ‘PotentialGradient’: 2021-07-10T04:24:30,144 src/potentials.c:7018:51: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,144 7018 | REAL rri2,rri4,rri5,rri6,rri8,rri10,rri12,rri14,rri16; 2021-07-10T04:24:30,144 | ^~~~~ 2021-07-10T04:24:30,228 src/potentials.c: In function ‘TailMolecularEnergyDifferenceRXMX’: 2021-07-10T04:24:30,238 src/potentials.c:11286:7: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2021-07-10T04:24:30,238 11286 | int nr_atoms; 2021-07-10T04:24:30,238 | ^~~~~~~~ 2021-07-10T04:24:30,313 src/potentials.c: In function ‘PotentialValueChargeBondDipole’: 2021-07-10T04:24:30,322 src/potentials.c:12026:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,322 12026 | REAL Bt0,Bt1; 2021-07-10T04:24:30,322 | ^~~ 2021-07-10T04:24:30,328 src/potentials.c: In function ‘PotentialValueBondDipoleBondDipole’: 2021-07-10T04:24:30,338 src/potentials.c:12069:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,339 12069 | REAL Bt0,Bt1,Bt2; 2021-07-10T04:24:30,339 | ^~~ 2021-07-10T04:24:30,344 src/potentials.c: In function ‘PotentialGradientChargeBondDipole’: 2021-07-10T04:24:30,352 src/potentials.c:12198:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,353 12198 | REAL U,Bt0,Bt1,Bt2; 2021-07-10T04:24:30,353 | ^~~ 2021-07-10T04:24:30,357 src/potentials.c: In function ‘PotentialGradientBondDipoleBondDipole’: 2021-07-10T04:24:30,366 src/potentials.c:12298:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,367 12298 | REAL U,Bt0,Bt1,Bt2,Bt3; 2021-07-10T04:24:30,367 | ^~~ 2021-07-10T04:24:30,377 src/potentials.c: In function ‘PotentialElectricFieldBondDipoleBondDipole’: 2021-07-10T04:24:30,386 src/potentials.c:12522:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,387 12522 | REAL U,Bt0,Bt1,Bt2; 2021-07-10T04:24:30,387 | ^~~ 2021-07-10T04:24:30,390 src/potentials.c: In function ‘PotentialGradientInducedDipoleInducedDipole’: 2021-07-10T04:24:30,399 src/potentials.c:12602:16: warning: unused variable ‘termB’ [-Wunused-variable] 2021-07-10T04:24:30,399 12602 | VECTOR termA,termB; 2021-07-10T04:24:30,399 | ^~~~~ 2021-07-10T04:24:30,410 src/potentials.c:12602:10: warning: unused variable ‘termA’ [-Wunused-variable] 2021-07-10T04:24:30,410 12602 | VECTOR termA,termB; 2021-07-10T04:24:30,411 | ^~~~~ 2021-07-10T04:24:30,422 src/potentials.c:12599:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:30,422 12599 | REAL U,Bt0,Bt1,Bt2,Bt3; 2021-07-10T04:24:30,422 | ^~~ 2021-07-10T04:24:36,448 src/potentials.c: In function ‘ReadForceFieldDefinitionsMixingRules’: 2021-07-10T04:24:36,452 src/potentials.c:2882:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2021-07-10T04:24:36,452 2882 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field_mixing_rules.def",RASPA_DIRECTORY,ForceField); 2021-07-10T04:24:36,452 | ^~ ~~~~~~~~~~ 2021-07-10T04:24:36,452 In file included from /usr/include/stdio.h:867, 2021-07-10T04:24:36,452 from src/potentials.c:29: 2021-07-10T04:24:36,452 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 54 or more bytes (assuming 309) into a destination of size 256 2021-07-10T04:24:36,453 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:24:36,453 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:36,453 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:24:36,453 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:42,040 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2021-07-10T04:24:42,046 src/potentials.c:4187:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2021-07-10T04:24:42,046 4187 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field.def",RASPA_DIRECTORY,ForceField); 2021-07-10T04:24:42,046 | ^~ ~~~~~~~~~~ 2021-07-10T04:24:42,046 In file included from /usr/include/stdio.h:867, 2021-07-10T04:24:42,046 from src/potentials.c:29: 2021-07-10T04:24:42,046 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 41 or more bytes (assuming 296) into a destination of size 256 2021-07-10T04:24:42,047 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:24:42,047 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:42,047 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:24:42,047 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:51,625 src/potentials.c: In function ‘BiasingPotential’: 2021-07-10T04:24:51,633 src/potentials.c:11630:5: warning: ‘q’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:24:51,633 11630 | F=EvaluateCubicSpline(Components[i].BiasingFunction, 2021-07-10T04:24:51,633 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:51,633 11631 | Components[i].BiasingFunction.n, 2021-07-10T04:24:51,634 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:51,634 11632 | q, 2021-07-10T04:24:51,634 | ~~ 2021-07-10T04:24:51,634 11633 | Components[i].FreeEnergyXdata, 2021-07-10T04:24:51,634 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:51,634 11634 | Derivatives); 2021-07-10T04:24:51,634 | ~~~~~~~~~~~~ 2021-07-10T04:24:52,737 src/potentials.c: In function ‘PotentialElectricFieldBondDipoleBondDipole’: 2021-07-10T04:24:52,746 src/potentials.c:12582:36: warning: ‘U’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:24:52,747 12582 | SwitchingValueDerivative*=U/r; 2021-07-10T04:24:52,747 | ~^~ 2021-07-10T04:24:52,826 src/potentials.c: In function ‘PotentialGradientInducedDipoleInducedDipole’: 2021-07-10T04:24:52,835 src/potentials.c:12611:17: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-10T04:24:52,835 12611 | Bt1=1.0/(r*rr); 2021-07-10T04:24:52,836 | ~~^~~~ 2021-07-10T04:24:52,932 src/potentials.c: In function ‘WriteTinkerParameterFile’: 2021-07-10T04:24:52,948 src/potentials.c:12691:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2021-07-10T04:24:52,948 12691 | sprintf(buffer,"Tinker/System_%d/%s.prm",CurrentSystem,ForceField); 2021-07-10T04:24:52,948 | ^~ ~~~~~~~~~~ 2021-07-10T04:24:52,949 In file included from /usr/include/stdio.h:867, 2021-07-10T04:24:52,949 from src/potentials.c:29: 2021-07-10T04:24:52,949 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 21 and 286 bytes into a destination of size 256 2021-07-10T04:24:52,949 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:24:52,949 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:52,949 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:24:52,949 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:53,029 src/potentials.c: In function ‘WriteTinkerKeyFile’: 2021-07-10T04:24:53,045 src/potentials.c:12762:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2021-07-10T04:24:53,045 12762 | sprintf(buffer,"Tinker/System_%d/%s.key",CurrentSystem,ForceField); 2021-07-10T04:24:53,045 | ^~ ~~~~~~~~~~ 2021-07-10T04:24:53,046 In file included from /usr/include/stdio.h:867, 2021-07-10T04:24:53,046 from src/potentials.c:29: 2021-07-10T04:24:53,046 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 21 and 286 bytes into a destination of size 256 2021-07-10T04:24:53,046 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-10T04:24:53,046 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:53,046 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-10T04:24:53,046 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:24:54,091 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/recrossing.c -o build/temp.linux-armv7l-3.9/src/recrossing.o 2021-07-10T04:24:54,308 src/recrossing.c: In function ‘BarrierRecrossing’: 2021-07-10T04:24:54,308 src/recrossing.c:482:39: warning: variable ‘TempEndB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:54,308 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-10T04:24:54,309 | ^~~~~~~~ 2021-07-10T04:24:54,309 src/recrossing.c:482:30: warning: variable ‘TempEndA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:54,309 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-10T04:24:54,309 | ^~~~~~~~ 2021-07-10T04:24:54,310 src/recrossing.c:482:19: warning: variable ‘TempStartB’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:54,310 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-10T04:24:54,310 | ^~~~~~~~~~ 2021-07-10T04:24:54,311 src/recrossing.c:482:8: warning: variable ‘TempStartA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:54,311 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-10T04:24:54,311 | ^~~~~~~~~~ 2021-07-10T04:24:55,713 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/rigid.c -o build/temp.linux-armv7l-3.9/src/rigid.o 2021-07-10T04:24:55,937 src/rigid.c: In function ‘TotalAngularMomentum’: 2021-07-10T04:24:55,938 src/rigid.c:1194:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:55,939 1194 | int Type; 2021-07-10T04:24:55,939 | ^~~~ 2021-07-10T04:24:55,982 src/rigid.c: In function ‘ReturnWilsonVectorsInversionBendRATTLE’: 2021-07-10T04:24:55,984 src/rigid.c:2822:8: warning: variable ‘ThetaD’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:55,984 2822 | REAL ThetaD,SinThetaD,CosThetaD,ChiD,CosChiD,SinChiD,TanChiD; 2021-07-10T04:24:55,984 | ^~~~~~ 2021-07-10T04:24:55,986 src/rigid.c:2821:8: warning: variable ‘ThetaC’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:55,986 2821 | REAL ThetaC,SinThetaC,CosThetaC,ChiC,CosChiC,SinChiC,TanChiC; 2021-07-10T04:24:55,986 | ^~~~~~ 2021-07-10T04:24:55,988 src/rigid.c:2820:8: warning: variable ‘ThetaA’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:55,988 2820 | REAL ThetaA,SinThetaA,CosThetaA,ChiA,CosChiA,SinChiA,TanChiA; 2021-07-10T04:24:55,988 | ^~~~~~ 2021-07-10T04:24:56,072 src/rigid.c: In function ‘RattleStageTwo’: 2021-07-10T04:24:56,076 src/rigid.c:5380:8: warning: variable ‘ConstraintValue’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:24:56,076 5380 | REAL ConstraintValue; 2021-07-10T04:24:56,076 | ^~~~~~~~~~~~~~~ 2021-07-10T04:25:10,673 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/run.c -o build/temp.linux-armv7l-3.9/src/run.o 2021-07-10T04:25:10,870 src/run.c:64:13: warning: ‘STREAM’ initialized and declared ‘extern’ 2021-07-10T04:25:10,871 64 | extern bool STREAM = false; 2021-07-10T04:25:10,871 | ^~~~~~ 2021-07-10T04:25:10,871 src/run.c:65:14: warning: ‘INPUT_CRYSTAL’ initialized and declared ‘extern’ 2021-07-10T04:25:10,871 65 | extern char *INPUT_CRYSTAL = NULL; 2021-07-10T04:25:10,871 | ^~~~~~~~~~~~~ 2021-07-10T04:25:10,872 src/run.c:66:14: warning: ‘PORE_SIZE_DISTRIBUTION_OUTPUT’ initialized and declared ‘extern’ 2021-07-10T04:25:10,872 66 | extern char *PORE_SIZE_DISTRIBUTION_OUTPUT = NULL; 2021-07-10T04:25:10,872 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:25:10,872 src/run.c:67:15: warning: ‘PORE_SIZE_DISTRIBUTION_OUTPUT_SIZE’ initialized and declared ‘extern’ 2021-07-10T04:25:10,872 67 | extern size_t PORE_SIZE_DISTRIBUTION_OUTPUT_SIZE = NULL; 2021-07-10T04:25:10,872 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-10T04:25:10,873 src/run.c:67:52: warning: initialization of ‘size_t’ {aka ‘unsigned int’} from ‘void *’ makes integer from pointer without a cast [-Wint-conversion] 2021-07-10T04:25:10,873 67 | extern size_t PORE_SIZE_DISTRIBUTION_OUTPUT_SIZE = NULL; 2021-07-10T04:25:10,873 | ^~~~ 2021-07-10T04:25:10,873 src/run.c:68:15: warning: ‘FILE_CONTENTS’ initialized and declared ‘extern’ 2021-07-10T04:25:10,874 68 | extern char **FILE_CONTENTS = NULL; 2021-07-10T04:25:10,874 | ^~~~~~~~~~~~~ 2021-07-10T04:25:10,874 src/run.c:69:16: warning: ‘FILE_SIZES’ initialized and declared ‘extern’ 2021-07-10T04:25:10,874 69 | extern size_t *FILE_SIZES = NULL; 2021-07-10T04:25:10,874 | ^~~~~~~~~~ 2021-07-10T04:25:10,877 src/run.c: In function ‘run’: 2021-07-10T04:25:10,878 src/run.c:79:25: warning: unused variable ‘temp’ [-Wunused-variable] 2021-07-10T04:25:10,878 79 | char *output = NULL, *temp = NULL, *delimiter = NULL; 2021-07-10T04:25:10,878 | ^~~~ 2021-07-10T04:25:11,162 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -Isrc -I/usr/include/python3.9 -c src/sample.c -o build/temp.linux-armv7l-3.9/src/sample.o 2021-07-10T04:25:11,444 src/sample.c: In function ‘SamplePositionHistogram’: 2021-07-10T04:25:11,445 src/sample.c:1291:21: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:25:11,445 1291 | VECTOR pos,s,fcom,drift; 2021-07-10T04:25:11,445 | ^~~~~ 2021-07-10T04:25:11,473 src/sample.c: In function ‘SampleFreeEnergyProfile’: 2021-07-10T04:25:11,475 src/sample.c:2594:8: warning: unused variable ‘UDeltaPolarization’ [-Wunused-variable] 2021-07-10T04:25:11,475 2594 | REAL UDeltaPolarization; 2021-07-10T04:25:11,475 | ^~~~~~~~~~~~~~~~~~ 2021-07-10T04:25:11,477 src/sample.c:2587:14: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:25:11,477 2587 | VECTOR A,C,drift,fcom; 2021-07-10T04:25:11,477 | ^~~~~ 2021-07-10T04:25:11,478 src/sample.c:2586:14: warning: variable ‘IdealGasRosenBluth’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:25:11,479 2586 | REAL value,IdealGasRosenBluth,error; 2021-07-10T04:25:11,479 | ^~~~~~~~~~~~~~~~~~ 2021-07-10T04:25:11,490 src/sample.c: In function ‘SamplePoreSizeDistribution’: 2021-07-10T04:25:11,492 src/sample.c:3394:8: warning: unused variable ‘temp’ [-Wunused-variable] 2021-07-10T04:25:11,492 3394 | REAL temp,deriv; 2021-07-10T04:25:11,492 | ^~~~ 2021-07-10T04:25:11,752 src/sample.c: In function ‘SampleRotationalVelocityAutoCorrelationFunctionOrderN’: 2021-07-10T04:25:11,757 src/sample.c:7396:16: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2021-07-10T04:25:11,757 7396 | VECTOR value,drift; 2021-07-10T04:25:11,757 | ^~~~~ 2021-07-10T04:25:11,759 src/sample.c: In function ‘GetOrientationalVectorAdsorbates’: 2021-07-10T04:25:11,763 src/sample.c:8045:14: warning: unused variable ‘t’ [-Wunused-variable] 2021-07-10T04:25:11,763 8045 | VECTOR com,t; 2021-07-10T04:25:11,763 | ^ 2021-07-10T04:25:11,769 src/sample.c:8045:10: warning: unused variable ‘com’ [-Wunused-variable] 2021-07-10T04:25:11,769 8045 | VECTOR com,t; 2021-07-10T04:25:11,769 | ^~~ 2021-07-10T04:25:11,770 src/sample.c: In function ‘GetOrientationalVectorCations’: 2021-07-10T04:25:11,775 src/sample.c:8083:14: warning: unused variable ‘t’ [-Wunused-variable] 2021-07-10T04:25:11,775 8083 | VECTOR com,t; 2021-07-10T04:25:11,775 | ^ 2021-07-10T04:25:11,780 src/sample.c:8083:10: warning: unused variable ‘com’ [-Wunused-variable] 2021-07-10T04:25:11,780 8083 | VECTOR com,t; 2021-07-10T04:25:11,780 | ^~~ 2021-07-10T04:25:11,795 src/sample.c: In function ‘BondOrientation’: 2021-07-10T04:25:11,800 src/sample.c:8315:16: warning: unused variable ‘e3’ [-Wunused-variable] 2021-07-10T04:25:11,800 8315 | VECTOR e1,e2,e3; 2021-07-10T04:25:11,800 | ^~ 2021-07-10T04:25:11,806 src/sample.c:8315:13: warning: unused variable ‘e2’ [-Wunused-variable] 2021-07-10T04:25:11,806 8315 | VECTOR e1,e2,e3; 2021-07-10T04:25:11,806 | ^~ 2021-07-10T04:25:11,811 src/sample.c:8315:10: warning: unused variable ‘e1’ [-Wunused-variable] 2021-07-10T04:25:11,812 8315 | VECTOR e1,e2,e3; 2021-07-10T04:25:11,812 | ^~ 2021-07-10T04:25:11,817 src/sample.c:8313:19: warning: unused variable ‘factor’ [-Wunused-variable] 2021-07-10T04:25:11,817 8313 | VECTOR CosTheta,factor; 2021-07-10T04:25:11,817 | ^~~~~~ 2021-07-10T04:25:11,823 src/sample.c:8313:10: warning: unused variable ‘CosTheta’ [-Wunused-variable] 2021-07-10T04:25:11,823 8313 | VECTOR CosTheta,factor; 2021-07-10T04:25:11,823 | ^~~~~~~~ 2021-07-10T04:25:11,828 src/sample.c:8312:20: warning: unused variable ‘dr’ [-Wunused-variable] 2021-07-10T04:25:11,829 8312 | VECTOR posA,posB,dr; 2021-07-10T04:25:11,829 | ^~ 2021-07-10T04:25:11,850 src/sample.c: In function ‘SampleBondOrientationAutoCorrelationFunctionOrderN’: 2021-07-10T04:25:11,856 src/sample.c:8361:13: warning: unused variable ‘typeB’ [-Wunused-variable] 2021-07-10T04:25:11,856 8361 | int typeA,typeB; 2021-07-10T04:25:11,856 | ^~~~~ 2021-07-10T04:25:11,862 src/sample.c:8361:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2021-07-10T04:25:11,862 8361 | int typeA,typeB; 2021-07-10T04:25:11,862 | ^~~~~ 2021-07-10T04:25:11,867 src/sample.c:8360:9: warning: unused variable ‘B’ [-Wunused-variable] 2021-07-10T04:25:11,868 8360 | int A,B,f1,index; 2021-07-10T04:25:11,868 | ^ 2021-07-10T04:25:11,873 src/sample.c:8360:7: warning: unused variable ‘A’ [-Wunused-variable] 2021-07-10T04:25:11,873 8360 | int A,B,f1,index; 2021-07-10T04:25:11,873 | ^ 2021-07-10T04:25:11,971 src/sample.c: In function ‘SampleCOMDensityProfile3DVTKGrid’: 2021-07-10T04:25:11,977 src/sample.c:9409:11: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 2021-07-10T04:25:11,977 9409 | for(y=0;y build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-10T04:30:05,722 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-10T04:30:05,725 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-10T04:30:05,727 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:30:05,729 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:30:05,731 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:30:05,734 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:30:05,737 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:30:05,738 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:30:05,741 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:30:05,743 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-10T04:30:05,746 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:30:05,747 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:30:05,750 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:30:05,752 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-10T04:30:05,756 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:30:05,757 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:30:05,759 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:30:05,762 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-10T04:30:05,765 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:30:05,766 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:30:05,769 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:30:05,771 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-10T04:30:05,775 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:30:05,776 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:30:05,778 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:30:05,781 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-10T04:30:05,784 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:30:05,785 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:30:05,787 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:30:05,789 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-10T04:30:05,792 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:30:05,793 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:30:05,796 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:30:05,798 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-10T04:30:05,801 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:30:05,802 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:30:05,804 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:30:05,807 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-10T04:30:05,810 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-10T04:30:05,811 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-10T04:30:05,813 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-10T04:30:05,817 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:30:05,818 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:30:05,820 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:30:05,822 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:30:05,826 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:30:05,827 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:30:05,830 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:30:05,832 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-10T04:30:05,836 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:30:05,837 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:30:05,839 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:30:05,842 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-10T04:30:05,845 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:30:05,847 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:30:05,849 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:30:05,851 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-10T04:30:05,855 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:30:05,856 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:30:05,858 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:30:05,861 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-10T04:30:05,864 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:30:05,866 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:30:05,868 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:30:05,871 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-10T04:30:05,874 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-10T04:30:05,875 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-10T04:30:05,878 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-10T04:30:05,881 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:30:05,882 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:30:05,885 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:30:05,887 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:30:05,890 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:30:05,892 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:30:05,894 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:30:05,897 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-10T04:30:05,900 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:30:05,901 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:30:05,904 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:30:05,906 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-10T04:30:05,909 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:30:05,911 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:30:05,913 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:30:05,916 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-10T04:30:05,919 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:30:05,920 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:30:05,923 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:30:05,926 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-10T04:30:05,929 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework 2021-07-10T04:30:05,931 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:30:05,932 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-10T04:30:05,936 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/DemontisModified 2021-07-10T04:30:05,937 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/DemontisModified/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/DemontisModified 2021-07-10T04:30:05,940 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-10T04:30:05,941 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellCatlow/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-10T04:30:05,944 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-10T04:30:05,945 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-10T04:30:05,948 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Nicholas 2021-07-10T04:30:05,949 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Nicholas/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Nicholas 2021-07-10T04:30:05,952 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-10T04:30:05,953 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-10T04:30:05,956 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/NicholasModified 2021-07-10T04:30:05,958 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/NicholasModified/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/NicholasModified 2021-07-10T04:30:05,961 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-10T04:30:05,962 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-10T04:30:05,965 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:30:05,966 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-10T04:30:05,969 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:30:05,971 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-10T04:30:05,974 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Demontis 2021-07-10T04:30:05,975 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Demontis/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Demontis 2021-07-10T04:30:05,981 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:05,982 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/constants.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:05,985 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/thermo_baro_stats.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:05,993 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_force.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,003 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/matrix.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,009 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/grids.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,011 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_hessian.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,023 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/output.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,034 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/statistics.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,044 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/cubic_spline_1d.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,047 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/spectra.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,053 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/ewald.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,076 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_force.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,077 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_born.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,080 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/molecule_properties.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,083 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/ewald.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,085 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/minimization.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,087 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_hessian.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,094 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/scattering_factors.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,097 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/numerical.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,109 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/molecular_dynamics.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,113 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/input.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,129 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/mc_moves.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,170 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_energy.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,180 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/potentials.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,201 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/run.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,204 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/cbmc.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,206 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/integrate.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,208 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/cubic_spline_1d.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,210 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/output.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,212 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/scattering_factors.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,216 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_force.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,218 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/vector.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,220 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_force.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,226 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/status.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,228 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/cbmc.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,234 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/statistics.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,237 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/status.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,249 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_born.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,251 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_born.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,254 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/warnings.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,257 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/rigid.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,268 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_energy.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,275 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/integration.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,278 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/utils.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,281 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_hessian.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,284 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,305 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/grids.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,310 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/equations_of_state.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,313 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/integration.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,318 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_born.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,321 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/charge_equilibration.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,324 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/equations_of_state.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,328 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/run.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,330 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/warnings.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,333 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/rigid.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,336 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/monte_carlo.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,339 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/linear_equations.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,342 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_energy.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,345 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/simulation.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,348 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/linear_equations.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,351 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/recrossing.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,354 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/movies.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,357 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_force.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,359 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/simulation.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,365 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/spectra.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,367 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/monte_carlo.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,371 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/sample.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,374 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_energy.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,383 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/molecule.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,394 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_hessian.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,397 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/charge_equilibration.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,399 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/vector.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,401 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_hessian.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,403 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/integrate.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,405 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/molecular_dynamics.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,408 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/minimization.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,422 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/spacegroup.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,424 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_force.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,436 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/molecule_properties.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,439 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/spacegroup.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,506 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/potentials.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,509 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/mc_moves.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,512 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/minimization_simulation.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,515 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/movies.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,520 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/matrix.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,522 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/inter_energy.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,525 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_born.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,534 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/input.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,536 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/constants.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,539 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_energy.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,542 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/sample.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,559 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/utils.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,562 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework_born.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,568 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/molecule.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,571 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/internal_hessian.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,593 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/thermo_baro_stats.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,595 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/recrossing.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,597 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/numerical.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,599 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/main.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,600 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/complex.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,602 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/complex.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,604 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/minimization_simulation.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,606 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/src/framework.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2021-07-10T04:30:06,610 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules 2021-07-10T04:30:06,611 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:30:06,612 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:30:06,614 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:30:06,616 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:30:06,617 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:30:06,619 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-10T04:30:06,624 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,625 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/hydrogen.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,627 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/undecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,628 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,630 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C10.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,632 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/PH3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,634 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/hexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,636 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,638 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,639 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,641 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,643 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C22.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,645 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/ethanol.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,647 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/Na.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,649 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,651 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/4mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,653 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/chloride.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,655 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/NaCl.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,656 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/sodium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,658 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/hexadecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,660 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C16.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,662 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,664 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/propene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,666 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C7.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,668 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C20.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,670 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,672 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C4.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,673 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/AsH3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,675 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,677 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,679 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/none.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,681 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,683 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,685 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,687 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,689 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/neopentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,691 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,692 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,694 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C25.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,696 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,698 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,700 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/Cl.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,702 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/isooctane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,704 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/LJ2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,706 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/ethane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,708 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,709 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C19.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,711 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C18.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,713 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/H2S.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,715 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C14.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,717 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C17.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,719 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/argon.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,721 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C13.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,722 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,724 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/nonane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,726 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,728 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,730 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/kalium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,732 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/pentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,734 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C28.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,736 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/octane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,738 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/benzene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,740 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/IonN.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,742 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/propane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,743 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,745 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/dodecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,747 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,749 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,751 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,752 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,755 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/helium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,756 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,758 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/butane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,760 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C11.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,762 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/krypton.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,763 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/xenon.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,765 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/H2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,767 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C15.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,769 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C12.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,771 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/24dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,773 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C27.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,775 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C24.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,777 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,780 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,781 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/O2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,784 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/27dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,785 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/ethene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,787 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/calcium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,789 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/BDC.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,791 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/isobutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,793 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/decane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,795 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C5.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,796 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,798 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C21.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,800 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/N2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,802 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,804 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,806 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,808 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/IonP.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,810 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,812 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/heptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,813 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,815 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C26.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,817 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,819 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/LJ1.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,821 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C2H2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,823 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C1.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,825 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/water.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,827 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/1-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,828 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C6.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,830 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/methanol.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,832 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,834 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C23.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,836 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-10T04:30:06,838 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-10T04:30:06,839 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-EH/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-10T04:30:06,841 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/EPM2 2021-07-10T04:30:06,842 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/EPM2/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/EPM2 2021-07-10T04:30:06,845 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,846 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,848 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,850 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,852 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,854 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,856 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/propane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,859 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/butane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,861 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,863 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,865 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,867 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-10T04:30:06,870 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures 2021-07-10T04:30:06,871 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/ions 2021-07-10T04:30:06,872 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/ions 2021-07-10T04:30:06,880 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,880 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ISV.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,883 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-210.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,886 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CoBDP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,889 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-68.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,891 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Co-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,893 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/DON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,896 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,905 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-102.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,907 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-71.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,909 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-4.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,912 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,914 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,916 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-80.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,918 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,919 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/TON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,921 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,924 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-60.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,927 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,931 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Zn-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,933 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,936 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88D-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,938 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,942 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-11-18.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,949 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/GME.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,951 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,959 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SAPO-47.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,961 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/KFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,963 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PAU.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,965 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/STF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,967 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-202.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,969 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,971 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,974 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-177.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,977 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOR_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,979 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-72.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,981 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFS.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,983 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-300.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,985 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/EMT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,987 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,995 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:06,997 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,006 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CHA_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,008 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/OFF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,010 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-96.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,012 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-15.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,015 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,017 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AlPO-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,019 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/quartz.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,020 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,024 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-15.62A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,027 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite_ortho.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,029 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/coesite.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,031 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,033 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,038 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTA5A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,040 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-205.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,043 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-61.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,046 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,049 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnMOF-74.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,051 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/FER.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,053 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,055 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,057 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-100SP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,062 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-69c.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,065 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SOD.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,067 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-3-20.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,072 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,075 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88A-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,077 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88B-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,079 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AlPO-17.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,081 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/VFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,082 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-93.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,084 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MEI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,086 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-200.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,091 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,094 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-108.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,096 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NaX.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,098 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,103 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,107 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/BEA.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,109 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,111 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-10-13.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,115 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ATS.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,117 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,119 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-70.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,121 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,125 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MgMOF-74.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,127 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,134 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,136 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,139 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTA_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,141 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,144 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,146 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-4-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,150 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-18.46A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,156 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,159 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/BOG_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,161 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,163 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AFI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,166 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,170 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MEL.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,172 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-16.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,176 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-90.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,179 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-17.04A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,185 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-19.88A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,193 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-10-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,197 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ERI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,199 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,201 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-69.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,204 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Cd3BTB2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,207 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTL_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,209 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,213 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_para.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,216 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,218 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MAZ.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,220 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,222 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-10.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,224 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-108-Cu.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,227 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,237 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-14.2A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,242 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AEL.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,244 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,249 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,251 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,253 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,255 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,268 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/alpha-quartz.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,270 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,272 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-8.52A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,276 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-13.75A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,281 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SAPO-56.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,283 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-1-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,287 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88C-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,289 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,291 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/RHO.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,293 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/FAU_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,295 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnHBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,297 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MTW_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,299 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,301 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AFX_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,303 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,307 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-13.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,310 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-6.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,312 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-3-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,316 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,327 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-6.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,330 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-20.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,337 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,339 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-100.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,357 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-12.78A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,361 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Zr-TPDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,364 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,367 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,369 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,374 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,378 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/UMCM-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,380 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CAN-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,383 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,386 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-4.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,389 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-13.25A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,394 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,396 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Cu-BTC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,398 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,400 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/DDR.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,402 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-1-23.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,407 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,409 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,412 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,417 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,421 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,423 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-10.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,426 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-108-Zn.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,430 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LEV.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,431 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTA4A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,433 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,436 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,438 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MAF-X8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,441 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-103.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,443 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-97.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,445 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SFF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,447 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,448 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LAU.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,450 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,452 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-101.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,475 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,477 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-68.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,479 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,484 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,486 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-77.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,487 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,489 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,491 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/UIO-66.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,494 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-105.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,496 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,498 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,500 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-29.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,502 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-47.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,504 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,506 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-15.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,510 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-3-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,513 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,521 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-10T04:30:07,529 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,530 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ITQ-29.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,532 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/BOG_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,533 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ERI_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,535 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MOR_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,537 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/LTL_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,538 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/LTA_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,540 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/DDR_ortho.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,542 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/DDR.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,544 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ATS.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,545 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MFI_mono.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,547 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MFI_Olson.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,549 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/FAU.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,551 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/FER.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,553 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ITQ-12.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,555 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MTW.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,557 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/test.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,559 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/CHA_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,560 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/GME.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,562 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/TON.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,564 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MFI_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,566 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ITQ-3.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-10T04:30:07,568 copying build/lib.linux-armv7l-3.9/RASPA2/__init__.py -> build/bdist.linux-armv7l/wheel/RASPA2 2021-07-10T04:30:07,570 copying build/lib.linux-armv7l-3.9/RASPA2/output_parser.py -> build/bdist.linux-armv7l/wheel/RASPA2 2021-07-10T04:30:07,573 creating build/bdist.linux-armv7l/wheel/RASPA2/simulations 2021-07-10T04:30:07,574 creating build/bdist.linux-armv7l/wheel/RASPA2/simulations/lib 2021-07-10T04:30:07,575 copying build/lib.linux-armv7l-3.9/RASPA2/simulations/lib/libraspa2.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/RASPA2/simulations/lib 2021-07-10T04:30:07,944 copying build/lib.linux-armv7l-3.9/RASPA2/raspa2.py -> build/bdist.linux-armv7l/wheel/RASPA2 2021-07-10T04:30:07,947 running install_egg_info 2021-07-10T04:30:07,956 Copying RASPA2.egg-info to build/bdist.linux-armv7l/wheel/RASPA2-2.0.2-py3.9.egg-info 2021-07-10T04:30:07,969 running install_scripts 2021-07-10T04:30:08,057 creating build/bdist.linux-armv7l/wheel/RASPA2-2.0.2.dist-info/WHEEL 2021-07-10T04:30:08,060 creating '/tmp/pip-wheel-lgpdapp3/RASPA2-2.0.2-cp39-cp39-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2021-07-10T04:30:08,063 adding 'RASPA2/__init__.py' 2021-07-10T04:30:08,065 adding 'RASPA2/output_parser.py' 2021-07-10T04:30:08,070 adding 'RASPA2/raspa2.py' 2021-07-10T04:30:08,075 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def' 2021-07-10T04:30:08,077 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def' 2021-07-10T04:30:08,078 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def' 2021-07-10T04:30:08,081 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def' 2021-07-10T04:30:08,082 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def' 2021-07-10T04:30:08,084 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def' 2021-07-10T04:30:08,086 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def' 2021-07-10T04:30:08,088 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def' 2021-07-10T04:30:08,090 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def' 2021-07-10T04:30:08,092 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def' 2021-07-10T04:30:08,093 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def' 2021-07-10T04:30:08,095 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def' 2021-07-10T04:30:08,097 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def' 2021-07-10T04:30:08,099 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def' 2021-07-10T04:30:08,100 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def' 2021-07-10T04:30:08,102 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def' 2021-07-10T04:30:08,104 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def' 2021-07-10T04:30:08,106 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def' 2021-07-10T04:30:08,108 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def' 2021-07-10T04:30:08,110 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def' 2021-07-10T04:30:08,112 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def' 2021-07-10T04:30:08,114 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def' 2021-07-10T04:30:08,115 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def' 2021-07-10T04:30:08,117 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def' 2021-07-10T04:30:08,119 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def' 2021-07-10T04:30:08,121 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def' 2021-07-10T04:30:08,122 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def' 2021-07-10T04:30:08,125 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def' 2021-07-10T04:30:08,126 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def' 2021-07-10T04:30:08,128 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def' 2021-07-10T04:30:08,130 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def' 2021-07-10T04:30:08,131 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def' 2021-07-10T04:30:08,133 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def' 2021-07-10T04:30:08,135 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def' 2021-07-10T04:30:08,137 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def' 2021-07-10T04:30:08,138 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def' 2021-07-10T04:30:08,140 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def' 2021-07-10T04:30:08,142 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def' 2021-07-10T04:30:08,144 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def' 2021-07-10T04:30:08,146 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def' 2021-07-10T04:30:08,147 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def' 2021-07-10T04:30:08,149 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def' 2021-07-10T04:30:08,151 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def' 2021-07-10T04:30:08,153 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def' 2021-07-10T04:30:08,155 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def' 2021-07-10T04:30:08,157 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def' 2021-07-10T04:30:08,158 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def' 2021-07-10T04:30:08,160 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def' 2021-07-10T04:30:08,162 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def' 2021-07-10T04:30:08,164 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def' 2021-07-10T04:30:08,166 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def' 2021-07-10T04:30:08,168 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def' 2021-07-10T04:30:08,170 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def' 2021-07-10T04:30:08,172 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def' 2021-07-10T04:30:08,174 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def' 2021-07-10T04:30:08,176 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field.def' 2021-07-10T04:30:08,177 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def' 2021-07-10T04:30:08,179 adding 'RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def' 2021-07-10T04:30:08,181 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field.def' 2021-07-10T04:30:08,183 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field_mixing_rules.def' 2021-07-10T04:30:08,184 adding 'RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def' 2021-07-10T04:30:08,186 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def' 2021-07-10T04:30:08,188 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def' 2021-07-10T04:30:08,189 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def' 2021-07-10T04:30:08,191 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field.def' 2021-07-10T04:30:08,193 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def' 2021-07-10T04:30:08,194 adding 'RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def' 2021-07-10T04:30:08,197 adding 'RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def' 2021-07-10T04:30:08,199 adding 'RASPA2/share/raspa/framework/CoreShellCatlow/framework.def' 2021-07-10T04:30:08,201 adding 'RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def' 2021-07-10T04:30:08,203 adding 'RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def' 2021-07-10T04:30:08,206 adding 'RASPA2/share/raspa/framework/Demontis/framework.def' 2021-07-10T04:30:08,208 adding 'RASPA2/share/raspa/framework/DemontisModified/framework.def' 2021-07-10T04:30:08,210 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def' 2021-07-10T04:30:08,212 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def' 2021-07-10T04:30:08,214 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def' 2021-07-10T04:30:08,217 adding 'RASPA2/share/raspa/framework/Nicholas/framework.def' 2021-07-10T04:30:08,219 adding 'RASPA2/share/raspa/framework/NicholasModified/framework.def' 2021-07-10T04:30:08,222 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def' 2021-07-10T04:30:08,223 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def' 2021-07-10T04:30:08,225 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def' 2021-07-10T04:30:08,226 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def' 2021-07-10T04:30:08,228 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def' 2021-07-10T04:30:08,230 adding 'RASPA2/share/raspa/molecules/EPM2/CO2.def' 2021-07-10T04:30:08,235 adding 'RASPA2/share/raspa/molecules/TraPPE/1-butene.def' 2021-07-10T04:30:08,237 adding 'RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def' 2021-07-10T04:30:08,238 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def' 2021-07-10T04:30:08,240 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def' 2021-07-10T04:30:08,241 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def' 2021-07-10T04:30:08,243 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def' 2021-07-10T04:30:08,245 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def' 2021-07-10T04:30:08,246 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def' 2021-07-10T04:30:08,248 adding 'RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def' 2021-07-10T04:30:08,250 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def' 2021-07-10T04:30:08,251 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def' 2021-07-10T04:30:08,253 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def' 2021-07-10T04:30:08,254 adding 'RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def' 2021-07-10T04:30:08,256 adding 'RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def' 2021-07-10T04:30:08,258 adding 'RASPA2/share/raspa/molecules/TraPPE/22dmC8.def' 2021-07-10T04:30:08,259 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def' 2021-07-10T04:30:08,261 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def' 2021-07-10T04:30:08,262 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def' 2021-07-10T04:30:08,264 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def' 2021-07-10T04:30:08,265 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def' 2021-07-10T04:30:08,267 adding 'RASPA2/share/raspa/molecules/TraPPE/24dmC8.def' 2021-07-10T04:30:08,269 adding 'RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def' 2021-07-10T04:30:08,270 adding 'RASPA2/share/raspa/molecules/TraPPE/27dmC8.def' 2021-07-10T04:30:08,272 adding 'RASPA2/share/raspa/molecules/TraPPE/2mC9.def' 2021-07-10T04:30:08,273 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def' 2021-07-10T04:30:08,275 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def' 2021-07-10T04:30:08,276 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def' 2021-07-10T04:30:08,278 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def' 2021-07-10T04:30:08,279 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def' 2021-07-10T04:30:08,281 adding 'RASPA2/share/raspa/molecules/TraPPE/3mC9.def' 2021-07-10T04:30:08,282 adding 'RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def' 2021-07-10T04:30:08,284 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def' 2021-07-10T04:30:08,285 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def' 2021-07-10T04:30:08,287 adding 'RASPA2/share/raspa/molecules/TraPPE/4mC9.def' 2021-07-10T04:30:08,288 adding 'RASPA2/share/raspa/molecules/TraPPE/AsH3.def' 2021-07-10T04:30:08,290 adding 'RASPA2/share/raspa/molecules/TraPPE/BDC.def' 2021-07-10T04:30:08,292 adding 'RASPA2/share/raspa/molecules/TraPPE/C1.def' 2021-07-10T04:30:08,293 adding 'RASPA2/share/raspa/molecules/TraPPE/C10.def' 2021-07-10T04:30:08,295 adding 'RASPA2/share/raspa/molecules/TraPPE/C11.def' 2021-07-10T04:30:08,296 adding 'RASPA2/share/raspa/molecules/TraPPE/C12.def' 2021-07-10T04:30:08,298 adding 'RASPA2/share/raspa/molecules/TraPPE/C13.def' 2021-07-10T04:30:08,300 adding 'RASPA2/share/raspa/molecules/TraPPE/C14.def' 2021-07-10T04:30:08,301 adding 'RASPA2/share/raspa/molecules/TraPPE/C15.def' 2021-07-10T04:30:08,303 adding 'RASPA2/share/raspa/molecules/TraPPE/C16.def' 2021-07-10T04:30:08,304 adding 'RASPA2/share/raspa/molecules/TraPPE/C17.def' 2021-07-10T04:30:08,306 adding 'RASPA2/share/raspa/molecules/TraPPE/C18.def' 2021-07-10T04:30:08,308 adding 'RASPA2/share/raspa/molecules/TraPPE/C19.def' 2021-07-10T04:30:08,309 adding 'RASPA2/share/raspa/molecules/TraPPE/C2.def' 2021-07-10T04:30:08,311 adding 'RASPA2/share/raspa/molecules/TraPPE/C20.def' 2021-07-10T04:30:08,312 adding 'RASPA2/share/raspa/molecules/TraPPE/C21.def' 2021-07-10T04:30:08,314 adding 'RASPA2/share/raspa/molecules/TraPPE/C22.def' 2021-07-10T04:30:08,316 adding 'RASPA2/share/raspa/molecules/TraPPE/C23.def' 2021-07-10T04:30:08,317 adding 'RASPA2/share/raspa/molecules/TraPPE/C24.def' 2021-07-10T04:30:08,319 adding 'RASPA2/share/raspa/molecules/TraPPE/C25.def' 2021-07-10T04:30:08,321 adding 'RASPA2/share/raspa/molecules/TraPPE/C26.def' 2021-07-10T04:30:08,323 adding 'RASPA2/share/raspa/molecules/TraPPE/C27.def' 2021-07-10T04:30:08,324 adding 'RASPA2/share/raspa/molecules/TraPPE/C28.def' 2021-07-10T04:30:08,326 adding 'RASPA2/share/raspa/molecules/TraPPE/C2H2.def' 2021-07-10T04:30:08,327 adding 'RASPA2/share/raspa/molecules/TraPPE/C3.def' 2021-07-10T04:30:08,329 adding 'RASPA2/share/raspa/molecules/TraPPE/C4.def' 2021-07-10T04:30:08,330 adding 'RASPA2/share/raspa/molecules/TraPPE/C5.def' 2021-07-10T04:30:08,332 adding 'RASPA2/share/raspa/molecules/TraPPE/C6.def' 2021-07-10T04:30:08,333 adding 'RASPA2/share/raspa/molecules/TraPPE/C7.def' 2021-07-10T04:30:08,335 adding 'RASPA2/share/raspa/molecules/TraPPE/C8.def' 2021-07-10T04:30:08,336 adding 'RASPA2/share/raspa/molecules/TraPPE/C9.def' 2021-07-10T04:30:08,338 adding 'RASPA2/share/raspa/molecules/TraPPE/CO2.def' 2021-07-10T04:30:08,339 adding 'RASPA2/share/raspa/molecules/TraPPE/Cl.def' 2021-07-10T04:30:08,341 adding 'RASPA2/share/raspa/molecules/TraPPE/H2.def' 2021-07-10T04:30:08,342 adding 'RASPA2/share/raspa/molecules/TraPPE/H2S.def' 2021-07-10T04:30:08,344 adding 'RASPA2/share/raspa/molecules/TraPPE/IonN.def' 2021-07-10T04:30:08,345 adding 'RASPA2/share/raspa/molecules/TraPPE/IonP.def' 2021-07-10T04:30:08,347 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ1.def' 2021-07-10T04:30:08,348 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ2.def' 2021-07-10T04:30:08,349 adding 'RASPA2/share/raspa/molecules/TraPPE/N2.def' 2021-07-10T04:30:08,351 adding 'RASPA2/share/raspa/molecules/TraPPE/Na.def' 2021-07-10T04:30:08,352 adding 'RASPA2/share/raspa/molecules/TraPPE/NaCl.def' 2021-07-10T04:30:08,354 adding 'RASPA2/share/raspa/molecules/TraPPE/O2.def' 2021-07-10T04:30:08,355 adding 'RASPA2/share/raspa/molecules/TraPPE/PH3.def' 2021-07-10T04:30:08,356 adding 'RASPA2/share/raspa/molecules/TraPPE/argon.def' 2021-07-10T04:30:08,358 adding 'RASPA2/share/raspa/molecules/TraPPE/benzene.def' 2021-07-10T04:30:08,359 adding 'RASPA2/share/raspa/molecules/TraPPE/butane.def' 2021-07-10T04:30:08,361 adding 'RASPA2/share/raspa/molecules/TraPPE/calcium.def' 2021-07-10T04:30:08,362 adding 'RASPA2/share/raspa/molecules/TraPPE/chloride.def' 2021-07-10T04:30:08,364 adding 'RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def' 2021-07-10T04:30:08,366 adding 'RASPA2/share/raspa/molecules/TraPPE/decane.def' 2021-07-10T04:30:08,367 adding 'RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def' 2021-07-10T04:30:08,369 adding 'RASPA2/share/raspa/molecules/TraPPE/dodecane.def' 2021-07-10T04:30:08,370 adding 'RASPA2/share/raspa/molecules/TraPPE/ethane.def' 2021-07-10T04:30:08,372 adding 'RASPA2/share/raspa/molecules/TraPPE/ethanol.def' 2021-07-10T04:30:08,373 adding 'RASPA2/share/raspa/molecules/TraPPE/ethene.def' 2021-07-10T04:30:08,375 adding 'RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def' 2021-07-10T04:30:08,376 adding 'RASPA2/share/raspa/molecules/TraPPE/helium.def' 2021-07-10T04:30:08,378 adding 'RASPA2/share/raspa/molecules/TraPPE/heptane.def' 2021-07-10T04:30:08,379 adding 'RASPA2/share/raspa/molecules/TraPPE/hexadecane.def' 2021-07-10T04:30:08,381 adding 'RASPA2/share/raspa/molecules/TraPPE/hexane.def' 2021-07-10T04:30:08,382 adding 'RASPA2/share/raspa/molecules/TraPPE/hydrogen.def' 2021-07-10T04:30:08,384 adding 'RASPA2/share/raspa/molecules/TraPPE/isobutane.def' 2021-07-10T04:30:08,385 adding 'RASPA2/share/raspa/molecules/TraPPE/isooctane.def' 2021-07-10T04:30:08,387 adding 'RASPA2/share/raspa/molecules/TraPPE/kalium.def' 2021-07-10T04:30:08,388 adding 'RASPA2/share/raspa/molecules/TraPPE/krypton.def' 2021-07-10T04:30:08,389 adding 'RASPA2/share/raspa/molecules/TraPPE/methane.def' 2021-07-10T04:30:08,391 adding 'RASPA2/share/raspa/molecules/TraPPE/methanol.def' 2021-07-10T04:30:08,392 adding 'RASPA2/share/raspa/molecules/TraPPE/neopentane.def' 2021-07-10T04:30:08,394 adding 'RASPA2/share/raspa/molecules/TraPPE/nonane.def' 2021-07-10T04:30:08,395 adding 'RASPA2/share/raspa/molecules/TraPPE/none.def' 2021-07-10T04:30:08,397 adding 'RASPA2/share/raspa/molecules/TraPPE/octane.def' 2021-07-10T04:30:08,398 adding 'RASPA2/share/raspa/molecules/TraPPE/pentane.def' 2021-07-10T04:30:08,400 adding 'RASPA2/share/raspa/molecules/TraPPE/propane.def' 2021-07-10T04:30:08,401 adding 'RASPA2/share/raspa/molecules/TraPPE/propene.def' 2021-07-10T04:30:08,402 adding 'RASPA2/share/raspa/molecules/TraPPE/sodium.def' 2021-07-10T04:30:08,404 adding 'RASPA2/share/raspa/molecules/TraPPE/undecane.def' 2021-07-10T04:30:08,405 adding 'RASPA2/share/raspa/molecules/TraPPE/water.def' 2021-07-10T04:30:08,407 adding 'RASPA2/share/raspa/molecules/TraPPE/xenon.def' 2021-07-10T04:30:08,409 adding 'RASPA2/share/raspa/molecules/TraPPE-EH/methane.def' 2021-07-10T04:30:08,411 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def' 2021-07-10T04:30:08,412 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def' 2021-07-10T04:30:08,414 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def' 2021-07-10T04:30:08,415 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/butane.def' 2021-07-10T04:30:08,417 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def' 2021-07-10T04:30:08,418 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def' 2021-07-10T04:30:08,420 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def' 2021-07-10T04:30:08,421 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def' 2021-07-10T04:30:08,423 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/methane.def' 2021-07-10T04:30:08,424 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def' 2021-07-10T04:30:08,425 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/propane.def' 2021-07-10T04:30:08,443 adding 'RASPA2/share/raspa/src/cbmc.c' 2021-07-10T04:30:08,446 adding 'RASPA2/share/raspa/src/cbmc.h' 2021-07-10T04:30:08,450 adding 'RASPA2/share/raspa/src/charge_equilibration.c' 2021-07-10T04:30:08,451 adding 'RASPA2/share/raspa/src/charge_equilibration.h' 2021-07-10T04:30:08,453 adding 'RASPA2/share/raspa/src/complex.c' 2021-07-10T04:30:08,454 adding 'RASPA2/share/raspa/src/complex.h' 2021-07-10T04:30:08,456 adding 'RASPA2/share/raspa/src/constants.c' 2021-07-10T04:30:08,457 adding 'RASPA2/share/raspa/src/constants.h' 2021-07-10T04:30:08,461 adding 'RASPA2/share/raspa/src/cubic_spline_1d.c' 2021-07-10T04:30:08,462 adding 'RASPA2/share/raspa/src/cubic_spline_1d.h' 2021-07-10T04:30:08,465 adding 'RASPA2/share/raspa/src/equations_of_state.c' 2021-07-10T04:30:08,466 adding 'RASPA2/share/raspa/src/equations_of_state.h' 2021-07-10T04:30:08,530 adding 'RASPA2/share/raspa/src/ewald.c' 2021-07-10T04:30:08,540 adding 'RASPA2/share/raspa/src/ewald.h' 2021-07-10T04:30:08,583 adding 'RASPA2/share/raspa/src/framework.c' 2021-07-10T04:30:08,591 adding 'RASPA2/share/raspa/src/framework.h' 2021-07-10T04:30:08,602 adding 'RASPA2/share/raspa/src/framework_born.c' 2021-07-10T04:30:08,605 adding 'RASPA2/share/raspa/src/framework_born.h' 2021-07-10T04:30:08,620 adding 'RASPA2/share/raspa/src/framework_energy.c' 2021-07-10T04:30:08,624 adding 'RASPA2/share/raspa/src/framework_energy.h' 2021-07-10T04:30:08,641 adding 'RASPA2/share/raspa/src/framework_force.c' 2021-07-10T04:30:08,645 adding 'RASPA2/share/raspa/src/framework_force.h' 2021-07-10T04:30:08,669 adding 'RASPA2/share/raspa/src/framework_hessian.c' 2021-07-10T04:30:08,674 adding 'RASPA2/share/raspa/src/framework_hessian.h' 2021-07-10T04:30:08,681 adding 'RASPA2/share/raspa/src/grids.c' 2021-07-10T04:30:08,683 adding 'RASPA2/share/raspa/src/grids.h' 2021-07-10T04:30:08,711 adding 'RASPA2/share/raspa/src/input.c' 2021-07-10T04:30:08,716 adding 'RASPA2/share/raspa/src/input.h' 2021-07-10T04:30:08,717 adding 'RASPA2/share/raspa/src/integrate.c' 2021-07-10T04:30:08,719 adding 'RASPA2/share/raspa/src/integrate.h' 2021-07-10T04:30:08,725 adding 'RASPA2/share/raspa/src/integration.c' 2021-07-10T04:30:08,727 adding 'RASPA2/share/raspa/src/integration.h' 2021-07-10T04:30:08,730 adding 'RASPA2/share/raspa/src/inter_born.c' 2021-07-10T04:30:08,732 adding 'RASPA2/share/raspa/src/inter_born.h' 2021-07-10T04:30:08,743 adding 'RASPA2/share/raspa/src/inter_energy.c' 2021-07-10T04:30:08,746 adding 'RASPA2/share/raspa/src/inter_energy.h' 2021-07-10T04:30:08,754 adding 'RASPA2/share/raspa/src/inter_force.c' 2021-07-10T04:30:08,757 adding 'RASPA2/share/raspa/src/inter_force.h' 2021-07-10T04:30:08,771 adding 'RASPA2/share/raspa/src/inter_hessian.c' 2021-07-10T04:30:08,775 adding 'RASPA2/share/raspa/src/inter_hessian.h' 2021-07-10T04:30:08,792 adding 'RASPA2/share/raspa/src/internal_born.c' 2021-07-10T04:30:08,795 adding 'RASPA2/share/raspa/src/internal_born.h' 2021-07-10T04:30:08,806 adding 'RASPA2/share/raspa/src/internal_energy.c' 2021-07-10T04:30:08,809 adding 'RASPA2/share/raspa/src/internal_energy.h' 2021-07-10T04:30:08,824 adding 'RASPA2/share/raspa/src/internal_force.c' 2021-07-10T04:30:08,827 adding 'RASPA2/share/raspa/src/internal_force.h' 2021-07-10T04:30:08,871 adding 'RASPA2/share/raspa/src/internal_hessian.c' 2021-07-10T04:30:08,878 adding 'RASPA2/share/raspa/src/internal_hessian.h' 2021-07-10T04:30:08,880 adding 'RASPA2/share/raspa/src/linear_equations.c' 2021-07-10T04:30:08,881 adding 'RASPA2/share/raspa/src/linear_equations.h' 2021-07-10T04:30:08,883 adding 'RASPA2/share/raspa/src/main.c' 2021-07-10T04:30:08,891 adding 'RASPA2/share/raspa/src/matrix.c' 2021-07-10T04:30:08,894 adding 'RASPA2/share/raspa/src/matrix.h' 2021-07-10T04:30:08,989 adding 'RASPA2/share/raspa/src/mc_moves.c' 2021-07-10T04:30:09,004 adding 'RASPA2/share/raspa/src/mc_moves.h' 2021-07-10T04:30:09,019 adding 'RASPA2/share/raspa/src/minimization.c' 2021-07-10T04:30:09,023 adding 'RASPA2/share/raspa/src/minimization.h' 2021-07-10T04:30:09,025 adding 'RASPA2/share/raspa/src/minimization_simulation.c' 2021-07-10T04:30:09,026 adding 'RASPA2/share/raspa/src/minimization_simulation.h' 2021-07-10T04:30:09,028 adding 'RASPA2/share/raspa/src/molecular_dynamics.c' 2021-07-10T04:30:09,030 adding 'RASPA2/share/raspa/src/molecular_dynamics.h' 2021-07-10T04:30:09,051 adding 'RASPA2/share/raspa/src/molecule.c' 2021-07-10T04:30:09,057 adding 'RASPA2/share/raspa/src/molecule.h' 2021-07-10T04:30:09,059 adding 'RASPA2/share/raspa/src/molecule_properties.c' 2021-07-10T04:30:09,060 adding 'RASPA2/share/raspa/src/molecule_properties.h' 2021-07-10T04:30:09,066 adding 'RASPA2/share/raspa/src/monte_carlo.c' 2021-07-10T04:30:09,068 adding 'RASPA2/share/raspa/src/monte_carlo.h' 2021-07-10T04:30:09,075 adding 'RASPA2/share/raspa/src/movies.c' 2021-07-10T04:30:09,078 adding 'RASPA2/share/raspa/src/movies.h' 2021-07-10T04:30:09,094 adding 'RASPA2/share/raspa/src/numerical.c' 2021-07-10T04:30:09,098 adding 'RASPA2/share/raspa/src/numerical.h' 2021-07-10T04:30:09,125 adding 'RASPA2/share/raspa/src/output.c' 2021-07-10T04:30:09,130 adding 'RASPA2/share/raspa/src/output.h' 2021-07-10T04:30:09,160 adding 'RASPA2/share/raspa/src/potentials.c' 2021-07-10T04:30:09,167 adding 'RASPA2/share/raspa/src/potentials.h' 2021-07-10T04:30:09,170 adding 'RASPA2/share/raspa/src/recrossing.c' 2021-07-10T04:30:09,172 adding 'RASPA2/share/raspa/src/recrossing.h' 2021-07-10T04:30:09,189 adding 'RASPA2/share/raspa/src/rigid.c' 2021-07-10T04:30:09,192 adding 'RASPA2/share/raspa/src/rigid.h' 2021-07-10T04:30:09,194 adding 'RASPA2/share/raspa/src/run.c' 2021-07-10T04:30:09,195 adding 'RASPA2/share/raspa/src/run.h' 2021-07-10T04:30:09,230 adding 'RASPA2/share/raspa/src/sample.c' 2021-07-10T04:30:09,237 adding 'RASPA2/share/raspa/src/sample.h' 2021-07-10T04:30:09,257 adding 'RASPA2/share/raspa/src/scattering_factors.c' 2021-07-10T04:30:09,259 adding 'RASPA2/share/raspa/src/scattering_factors.h' 2021-07-10T04:30:09,265 adding 'RASPA2/share/raspa/src/simulation.c' 2021-07-10T04:30:09,267 adding 'RASPA2/share/raspa/src/simulation.h' 2021-07-10T04:30:09,441 adding 'RASPA2/share/raspa/src/spacegroup.c' 2021-07-10T04:30:09,467 adding 'RASPA2/share/raspa/src/spacegroup.h' 2021-07-10T04:30:09,476 adding 'RASPA2/share/raspa/src/spectra.c' 2021-07-10T04:30:09,479 adding 'RASPA2/share/raspa/src/spectra.h' 2021-07-10T04:30:09,494 adding 'RASPA2/share/raspa/src/statistics.c' 2021-07-10T04:30:09,498 adding 'RASPA2/share/raspa/src/statistics.h' 2021-07-10T04:30:09,516 adding 'RASPA2/share/raspa/src/status.c' 2021-07-10T04:30:09,520 adding 'RASPA2/share/raspa/src/status.h' 2021-07-10T04:30:09,531 adding 'RASPA2/share/raspa/src/thermo_baro_stats.c' 2021-07-10T04:30:09,533 adding 'RASPA2/share/raspa/src/thermo_baro_stats.h' 2021-07-10T04:30:09,540 adding 'RASPA2/share/raspa/src/utils.c' 2021-07-10T04:30:09,542 adding 'RASPA2/share/raspa/src/utils.h' 2021-07-10T04:30:09,543 adding 'RASPA2/share/raspa/src/vector.c' 2021-07-10T04:30:09,544 adding 'RASPA2/share/raspa/src/vector.h' 2021-07-10T04:30:09,546 adding 'RASPA2/share/raspa/src/warnings.c' 2021-07-10T04:30:09,548 adding 'RASPA2/share/raspa/src/warnings.h' 2021-07-10T04:30:09,601 adding 'RASPA2/share/raspa/structures/block/ATS.block' 2021-07-10T04:30:09,603 adding 'RASPA2/share/raspa/structures/block/BOG_SI.block' 2021-07-10T04:30:09,605 adding 'RASPA2/share/raspa/structures/block/CHA_SI.block' 2021-07-10T04:30:09,607 adding 'RASPA2/share/raspa/structures/block/DDR.block' 2021-07-10T04:30:09,609 adding 'RASPA2/share/raspa/structures/block/DDR_ortho.block' 2021-07-10T04:30:09,610 adding 'RASPA2/share/raspa/structures/block/ERI_SI.block' 2021-07-10T04:30:09,612 adding 'RASPA2/share/raspa/structures/block/FAU.block' 2021-07-10T04:30:09,614 adding 'RASPA2/share/raspa/structures/block/FER.block' 2021-07-10T04:30:09,615 adding 'RASPA2/share/raspa/structures/block/GME.block' 2021-07-10T04:30:09,617 adding 'RASPA2/share/raspa/structures/block/ITQ-12.block' 2021-07-10T04:30:09,618 adding 'RASPA2/share/raspa/structures/block/ITQ-29.block' 2021-07-10T04:30:09,620 adding 'RASPA2/share/raspa/structures/block/ITQ-3.block' 2021-07-10T04:30:09,621 adding 'RASPA2/share/raspa/structures/block/LTA_SI.block' 2021-07-10T04:30:09,623 adding 'RASPA2/share/raspa/structures/block/LTL_SI.block' 2021-07-10T04:30:09,625 adding 'RASPA2/share/raspa/structures/block/MFI_Olson.block' 2021-07-10T04:30:09,626 adding 'RASPA2/share/raspa/structures/block/MFI_SI.block' 2021-07-10T04:30:09,627 adding 'RASPA2/share/raspa/structures/block/MFI_mono.block' 2021-07-10T04:30:09,628 adding 'RASPA2/share/raspa/structures/block/MOR_SI.block' 2021-07-10T04:30:09,630 adding 'RASPA2/share/raspa/structures/block/MTW.block' 2021-07-10T04:30:09,631 adding 'RASPA2/share/raspa/structures/block/TON.block' 2021-07-10T04:30:09,632 adding 'RASPA2/share/raspa/structures/block/test.block' 2021-07-10T04:30:09,638 adding 'RASPA2/share/raspa/structures/cif/AEL.cif' 2021-07-10T04:30:09,640 adding 'RASPA2/share/raspa/structures/cif/AFI_SI.cif' 2021-07-10T04:30:09,641 adding 'RASPA2/share/raspa/structures/cif/AFX_SI.cif' 2021-07-10T04:30:09,642 adding 'RASPA2/share/raspa/structures/cif/ATS.cif' 2021-07-10T04:30:09,644 adding 'RASPA2/share/raspa/structures/cif/AlPO-17.cif' 2021-07-10T04:30:09,645 adding 'RASPA2/share/raspa/structures/cif/AlPO-5.cif' 2021-07-10T04:30:09,646 adding 'RASPA2/share/raspa/structures/cif/BEA.cif' 2021-07-10T04:30:09,648 adding 'RASPA2/share/raspa/structures/cif/BOG_SI.cif' 2021-07-10T04:30:09,650 adding 'RASPA2/share/raspa/structures/cif/CAN-12.cif' 2021-07-10T04:30:09,651 adding 'RASPA2/share/raspa/structures/cif/CFI.cif' 2021-07-10T04:30:09,652 adding 'RASPA2/share/raspa/structures/cif/CHA_SI.cif' 2021-07-10T04:30:09,654 adding 'RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif' 2021-07-10T04:30:09,655 adding 'RASPA2/share/raspa/structures/cif/COF-1.cif' 2021-07-10T04:30:09,656 adding 'RASPA2/share/raspa/structures/cif/COF-102.cif' 2021-07-10T04:30:09,658 adding 'RASPA2/share/raspa/structures/cif/COF-103.cif' 2021-07-10T04:30:09,659 adding 'RASPA2/share/raspa/structures/cif/COF-105.cif' 2021-07-10T04:30:09,661 adding 'RASPA2/share/raspa/structures/cif/COF-108.cif' 2021-07-10T04:30:09,662 adding 'RASPA2/share/raspa/structures/cif/COF-202.cif' 2021-07-10T04:30:09,664 adding 'RASPA2/share/raspa/structures/cif/COF-300.cif' 2021-07-10T04:30:09,665 adding 'RASPA2/share/raspa/structures/cif/COF-5.cif' 2021-07-10T04:30:09,666 adding 'RASPA2/share/raspa/structures/cif/CON.cif' 2021-07-10T04:30:09,668 adding 'RASPA2/share/raspa/structures/cif/Cd3BTB2.cif' 2021-07-10T04:30:09,669 adding 'RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif' 2021-07-10T04:30:09,670 adding 'RASPA2/share/raspa/structures/cif/Co-DOBDC.cif' 2021-07-10T04:30:09,671 adding 'RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif' 2021-07-10T04:30:09,673 adding 'RASPA2/share/raspa/structures/cif/CoBDP.cif' 2021-07-10T04:30:09,675 adding 'RASPA2/share/raspa/structures/cif/Cu-BTC.cif' 2021-07-10T04:30:09,676 adding 'RASPA2/share/raspa/structures/cif/DDR.cif' 2021-07-10T04:30:09,678 adding 'RASPA2/share/raspa/structures/cif/DON.cif' 2021-07-10T04:30:09,679 adding 'RASPA2/share/raspa/structures/cif/EMT.cif' 2021-07-10T04:30:09,680 adding 'RASPA2/share/raspa/structures/cif/ERI_SI.cif' 2021-07-10T04:30:09,682 adding 'RASPA2/share/raspa/structures/cif/FAU_SI.cif' 2021-07-10T04:30:09,683 adding 'RASPA2/share/raspa/structures/cif/FER.cif' 2021-07-10T04:30:09,684 adding 'RASPA2/share/raspa/structures/cif/GME.cif' 2021-07-10T04:30:09,686 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif' 2021-07-10T04:30:09,687 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1.cif' 2021-07-10T04:30:09,689 adding 'RASPA2/share/raspa/structures/cif/IRMOF-10.cif' 2021-07-10T04:30:09,701 adding 'RASPA2/share/raspa/structures/cif/IRMOF-11.cif' 2021-07-10T04:30:09,706 adding 'RASPA2/share/raspa/structures/cif/IRMOF-12.cif' 2021-07-10T04:30:09,708 adding 'RASPA2/share/raspa/structures/cif/IRMOF-13.cif' 2021-07-10T04:30:09,709 adding 'RASPA2/share/raspa/structures/cif/IRMOF-14.cif' 2021-07-10T04:30:09,711 adding 'RASPA2/share/raspa/structures/cif/IRMOF-15.cif' 2021-07-10T04:30:09,715 adding 'RASPA2/share/raspa/structures/cif/IRMOF-16.cif' 2021-07-10T04:30:09,717 adding 'RASPA2/share/raspa/structures/cif/IRMOF-2.cif' 2021-07-10T04:30:09,720 adding 'RASPA2/share/raspa/structures/cif/IRMOF-3.cif' 2021-07-10T04:30:09,724 adding 'RASPA2/share/raspa/structures/cif/IRMOF-4.cif' 2021-07-10T04:30:09,730 adding 'RASPA2/share/raspa/structures/cif/IRMOF-5.cif' 2021-07-10T04:30:09,733 adding 'RASPA2/share/raspa/structures/cif/IRMOF-6.cif' 2021-07-10T04:30:09,736 adding 'RASPA2/share/raspa/structures/cif/IRMOF-7.cif' 2021-07-10T04:30:09,738 adding 'RASPA2/share/raspa/structures/cif/IRMOF-8.cif' 2021-07-10T04:30:09,741 adding 'RASPA2/share/raspa/structures/cif/IRMOF-9.cif' 2021-07-10T04:30:09,742 adding 'RASPA2/share/raspa/structures/cif/ISV.cif' 2021-07-10T04:30:09,743 adding 'RASPA2/share/raspa/structures/cif/ITQ-1.cif' 2021-07-10T04:30:09,745 adding 'RASPA2/share/raspa/structures/cif/ITQ-12.cif' 2021-07-10T04:30:09,746 adding 'RASPA2/share/raspa/structures/cif/ITQ-29.cif' 2021-07-10T04:30:09,747 adding 'RASPA2/share/raspa/structures/cif/ITQ-3.cif' 2021-07-10T04:30:09,748 adding 'RASPA2/share/raspa/structures/cif/ITQ-7.cif' 2021-07-10T04:30:09,750 adding 'RASPA2/share/raspa/structures/cif/KFI.cif' 2021-07-10T04:30:09,751 adding 'RASPA2/share/raspa/structures/cif/LAU.cif' 2021-07-10T04:30:09,752 adding 'RASPA2/share/raspa/structures/cif/LEV.cif' 2021-07-10T04:30:09,754 adding 'RASPA2/share/raspa/structures/cif/LTA4A.cif' 2021-07-10T04:30:09,755 adding 'RASPA2/share/raspa/structures/cif/LTA5A.cif' 2021-07-10T04:30:09,757 adding 'RASPA2/share/raspa/structures/cif/LTA_SI.cif' 2021-07-10T04:30:09,758 adding 'RASPA2/share/raspa/structures/cif/LTL_SI.cif' 2021-07-10T04:30:09,760 adding 'RASPA2/share/raspa/structures/cif/MAF-X8.cif' 2021-07-10T04:30:09,762 adding 'RASPA2/share/raspa/structures/cif/MAZ.cif' 2021-07-10T04:30:09,763 adding 'RASPA2/share/raspa/structures/cif/MEI.cif' 2021-07-10T04:30:09,764 adding 'RASPA2/share/raspa/structures/cif/MEL.cif' 2021-07-10T04:30:09,766 adding 'RASPA2/share/raspa/structures/cif/MFI_SI.cif' 2021-07-10T04:30:09,767 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif' 2021-07-10T04:30:09,769 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif' 2021-07-10T04:30:09,770 adding 'RASPA2/share/raspa/structures/cif/MFI_para.cif' 2021-07-10T04:30:09,772 adding 'RASPA2/share/raspa/structures/cif/MFS.cif' 2021-07-10T04:30:09,788 adding 'RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif' 2021-07-10T04:30:09,834 adding 'RASPA2/share/raspa/structures/cif/MIL-100.cif' 2021-07-10T04:30:09,860 adding 'RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif' 2021-07-10T04:30:09,918 adding 'RASPA2/share/raspa/structures/cif/MIL-101.cif' 2021-07-10T04:30:09,926 adding 'RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif' 2021-07-10T04:30:09,928 adding 'RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif' 2021-07-10T04:30:09,929 adding 'RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif' 2021-07-10T04:30:09,930 adding 'RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif' 2021-07-10T04:30:09,932 adding 'RASPA2/share/raspa/structures/cif/MIL-47.cif' 2021-07-10T04:30:09,933 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif' 2021-07-10T04:30:09,934 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif' 2021-07-10T04:30:09,936 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif' 2021-07-10T04:30:09,937 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-open.cif' 2021-07-10T04:30:09,938 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif' 2021-07-10T04:30:09,939 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-open.cif' 2021-07-10T04:30:09,941 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif' 2021-07-10T04:30:09,942 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-open.cif' 2021-07-10T04:30:09,943 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif' 2021-07-10T04:30:09,945 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-open.cif' 2021-07-10T04:30:09,946 adding 'RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif' 2021-07-10T04:30:09,948 adding 'RASPA2/share/raspa/structures/cif/MOF-177.cif' 2021-07-10T04:30:09,956 adding 'RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif' 2021-07-10T04:30:09,964 adding 'RASPA2/share/raspa/structures/cif/MOF-200.cif' 2021-07-10T04:30:09,968 adding 'RASPA2/share/raspa/structures/cif/MOF-205.cif' 2021-07-10T04:30:09,971 adding 'RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif' 2021-07-10T04:30:09,974 adding 'RASPA2/share/raspa/structures/cif/MOF-210.cif' 2021-07-10T04:30:09,976 adding 'RASPA2/share/raspa/structures/cif/MOF-69c.cif' 2021-07-10T04:30:09,978 adding 'RASPA2/share/raspa/structures/cif/MOF-70.cif' 2021-07-10T04:30:09,979 adding 'RASPA2/share/raspa/structures/cif/MOF-72.cif' 2021-07-10T04:30:09,980 adding 'RASPA2/share/raspa/structures/cif/MOR_SI.cif' 2021-07-10T04:30:09,982 adding 'RASPA2/share/raspa/structures/cif/MTW_SI.cif' 2021-07-10T04:30:09,983 adding 'RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif' 2021-07-10T04:30:09,984 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif' 2021-07-10T04:30:09,986 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif' 2021-07-10T04:30:09,987 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74.cif' 2021-07-10T04:30:09,990 adding 'RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif' 2021-07-10T04:30:10,002 adding 'RASPA2/share/raspa/structures/cif/NU-100SP.cif' 2021-07-10T04:30:10,007 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif' 2021-07-10T04:30:10,010 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu.cif' 2021-07-10T04:30:10,015 adding 'RASPA2/share/raspa/structures/cif/NU-108-Zn.cif' 2021-07-10T04:30:10,017 adding 'RASPA2/share/raspa/structures/cif/NaX.cif' 2021-07-10T04:30:10,018 adding 'RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif' 2021-07-10T04:30:10,019 adding 'RASPA2/share/raspa/structures/cif/OFF.cif' 2021-07-10T04:30:10,021 adding 'RASPA2/share/raspa/structures/cif/PAU.cif' 2021-07-10T04:30:10,022 adding 'RASPA2/share/raspa/structures/cif/PCN-60.cif' 2021-07-10T04:30:10,024 adding 'RASPA2/share/raspa/structures/cif/PCN-61.cif' 2021-07-10T04:30:10,027 adding 'RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif' 2021-07-10T04:30:10,029 adding 'RASPA2/share/raspa/structures/cif/PCN-68.cif' 2021-07-10T04:30:10,030 adding 'RASPA2/share/raspa/structures/cif/RHO.cif' 2021-07-10T04:30:10,031 adding 'RASPA2/share/raspa/structures/cif/SAPO-47.cif' 2021-07-10T04:30:10,033 adding 'RASPA2/share/raspa/structures/cif/SAPO-56.cif' 2021-07-10T04:30:10,034 adding 'RASPA2/share/raspa/structures/cif/SFF.cif' 2021-07-10T04:30:10,035 adding 'RASPA2/share/raspa/structures/cif/SOD.cif' 2021-07-10T04:30:10,037 adding 'RASPA2/share/raspa/structures/cif/STF.cif' 2021-07-10T04:30:10,042 adding 'RASPA2/share/raspa/structures/cif/SWNT-1-14.cif' 2021-07-10T04:30:10,055 adding 'RASPA2/share/raspa/structures/cif/SWNT-1-23.cif' 2021-07-10T04:30:10,065 adding 'RASPA2/share/raspa/structures/cif/SWNT-10-11.cif' 2021-07-10T04:30:10,075 adding 'RASPA2/share/raspa/structures/cif/SWNT-10-13.cif' 2021-07-10T04:30:10,089 adding 'RASPA2/share/raspa/structures/cif/SWNT-11-18.cif' 2021-07-10T04:30:10,094 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-11.cif' 2021-07-10T04:30:10,104 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-20.cif' 2021-07-10T04:30:10,107 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-9.cif' 2021-07-10T04:30:10,110 adding 'RASPA2/share/raspa/structures/cif/SWNT-4-14.cif' 2021-07-10T04:30:10,111 adding 'RASPA2/share/raspa/structures/cif/TON.cif' 2021-07-10T04:30:10,114 adding 'RASPA2/share/raspa/structures/cif/UIO-66.cif' 2021-07-10T04:30:10,116 adding 'RASPA2/share/raspa/structures/cif/UMCM-1.cif' 2021-07-10T04:30:10,118 adding 'RASPA2/share/raspa/structures/cif/VFI.cif' 2021-07-10T04:30:10,119 adding 'RASPA2/share/raspa/structures/cif/ZIF-1.cif' 2021-07-10T04:30:10,121 adding 'RASPA2/share/raspa/structures/cif/ZIF-10.cif' 2021-07-10T04:30:10,134 adding 'RASPA2/share/raspa/structures/cif/ZIF-11.cif' 2021-07-10T04:30:10,147 adding 'RASPA2/share/raspa/structures/cif/ZIF-12.cif' 2021-07-10T04:30:10,149 adding 'RASPA2/share/raspa/structures/cif/ZIF-2.cif' 2021-07-10T04:30:10,173 adding 'RASPA2/share/raspa/structures/cif/ZIF-20.cif' 2021-07-10T04:30:10,176 adding 'RASPA2/share/raspa/structures/cif/ZIF-3.cif' 2021-07-10T04:30:10,178 adding 'RASPA2/share/raspa/structures/cif/ZIF-4.cif' 2021-07-10T04:30:10,179 adding 'RASPA2/share/raspa/structures/cif/ZIF-5.cif' 2021-07-10T04:30:10,181 adding 'RASPA2/share/raspa/structures/cif/ZIF-6.cif' 2021-07-10T04:30:10,183 adding 'RASPA2/share/raspa/structures/cif/ZIF-68.cif' 2021-07-10T04:30:10,185 adding 'RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif' 2021-07-10T04:30:10,189 adding 'RASPA2/share/raspa/structures/cif/ZIF-69.cif' 2021-07-10T04:30:10,190 adding 'RASPA2/share/raspa/structures/cif/ZIF-7.cif' 2021-07-10T04:30:10,192 adding 'RASPA2/share/raspa/structures/cif/ZIF-71.cif' 2021-07-10T04:30:10,193 adding 'RASPA2/share/raspa/structures/cif/ZIF-77.cif' 2021-07-10T04:30:10,195 adding 'RASPA2/share/raspa/structures/cif/ZIF-8.cif' 2021-07-10T04:30:10,197 adding 'RASPA2/share/raspa/structures/cif/ZIF-80.cif' 2021-07-10T04:30:10,198 adding 'RASPA2/share/raspa/structures/cif/ZIF-9.cif' 2021-07-10T04:30:10,200 adding 'RASPA2/share/raspa/structures/cif/ZIF-90.cif' 2021-07-10T04:30:10,201 adding 'RASPA2/share/raspa/structures/cif/ZIF-93.cif' 2021-07-10T04:30:10,203 adding 'RASPA2/share/raspa/structures/cif/ZIF-96.cif' 2021-07-10T04:30:10,204 adding 'RASPA2/share/raspa/structures/cif/ZIF-97.cif' 2021-07-10T04:30:10,205 adding 'RASPA2/share/raspa/structures/cif/Zn-DOBDC.cif' 2021-07-10T04:30:10,206 adding 'RASPA2/share/raspa/structures/cif/ZnBDC.cif' 2021-07-10T04:30:10,208 adding 'RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif' 2021-07-10T04:30:10,209 adding 'RASPA2/share/raspa/structures/cif/ZnHBDC.cif' 2021-07-10T04:30:10,210 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif' 2021-07-10T04:30:10,212 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74.cif' 2021-07-10T04:30:10,215 adding 'RASPA2/share/raspa/structures/cif/Zr-TPDC.cif' 2021-07-10T04:30:10,217 adding 'RASPA2/share/raspa/structures/cif/alpha-quartz.cif' 2021-07-10T04:30:10,218 adding 'RASPA2/share/raspa/structures/cif/coesite.cif' 2021-07-10T04:30:10,224 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif' 2021-07-10T04:30:10,229 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif' 2021-07-10T04:30:10,235 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif' 2021-07-10T04:30:10,240 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif' 2021-07-10T04:30:10,246 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif' 2021-07-10T04:30:10,252 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-12.78A.cif' 2021-07-10T04:30:10,257 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-13.25A.cif' 2021-07-10T04:30:10,263 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-13.75A.cif' 2021-07-10T04:30:10,268 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-14.2A.cif' 2021-07-10T04:30:10,274 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-15.0A.cif' 2021-07-10T04:30:10,279 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-15.62A.cif' 2021-07-10T04:30:10,288 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-17.04A.cif' 2021-07-10T04:30:10,299 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-18.46A.cif' 2021-07-10T04:30:10,310 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-19.88A.cif' 2021-07-10T04:30:10,316 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-8.52A.cif' 2021-07-10T04:30:10,322 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif' 2021-07-10T04:30:10,327 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif' 2021-07-10T04:30:10,331 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif' 2021-07-10T04:30:10,344 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif' 2021-07-10T04:30:10,359 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif' 2021-07-10T04:30:10,373 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif' 2021-07-10T04:30:10,391 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif' 2021-07-10T04:30:10,410 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif' 2021-07-10T04:30:10,432 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif' 2021-07-10T04:30:10,454 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif' 2021-07-10T04:30:10,465 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif' 2021-07-10T04:30:10,477 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif' 2021-07-10T04:30:10,479 adding 'RASPA2/share/raspa/structures/cif/graphite.cif' 2021-07-10T04:30:10,480 adding 'RASPA2/share/raspa/structures/cif/graphite_ortho.cif' 2021-07-10T04:30:10,481 adding 'RASPA2/share/raspa/structures/cif/quartz.cif' 2021-07-10T04:30:10,483 adding 'RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions' 2021-07-10T04:30:13,314 adding 'RASPA2/simulations/lib/libraspa2.cpython-39-arm-linux-gnueabihf.so' 2021-07-10T04:30:13,482 adding 'RASPA2-2.0.2.dist-info/METADATA' 2021-07-10T04:30:13,483 adding 'RASPA2-2.0.2.dist-info/WHEEL' 2021-07-10T04:30:13,484 adding 'RASPA2-2.0.2.dist-info/entry_points.txt' 2021-07-10T04:30:13,485 adding 'RASPA2-2.0.2.dist-info/top_level.txt' 2021-07-10T04:30:13,494 adding 'RASPA2-2.0.2.dist-info/RECORD' 2021-07-10T04:30:13,619 removing build/bdist.linux-armv7l/wheel 2021-07-10T04:30:13,958 Building wheel for raspa2 (setup.py): finished with status 'done' 2021-07-10T04:30:14,065 Created wheel for raspa2: filename=RASPA2-2.0.2-cp39-cp39-linux_armv7l.whl size=8236521 sha256=4931693023f00bdc19259fdaa6ca6047a5e39cb0cc4d7b2c72506ef16c6880e8 2021-07-10T04:30:14,065 Stored in directory: /tmp/pip-ephem-wheel-cache-10jf4bm1/wheels/fd/e3/6f/2eb0c1452544a4be247ea2c1959bddc30faebab44286eaf334 2021-07-10T04:30:14,095 Successfully built raspa2 2021-07-10T04:30:14,355 Removed build tracker: '/tmp/pip-req-tracker-t0x6cdht'