!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : Sim_LAMMPS_MEAM_VellaChenStillinger_2017_Sn__SM_629915663723_000 Supported species : Sn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Sn (Configuration in file "config-F-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1113.7315161084794 Forces: 1 -2.07388768e+01 -6.32145565e+01 -4.42474347e+01 2 1.33679905e+01 3.24518174e+01 -6.53515841e+01 3 4.12745514e+00 -7.44921342e+01 -1.47507190e+01 4 -6.49643323e+01 6.05497423e+01 2.47119781e+01 5 5.13478663e+00 -5.93925383e+01 -1.72513952e+01 6 4.03406583e+01 -3.19354675e-01 -3.47103278e+01 7 2.73747779e+01 -8.48267883e+01 -5.19218147e+01 8 -1.19769791e+02 1.62625685e+02 -3.16488196e+01 9 -6.03510857e+01 -5.47099629e+01 -8.58981724e+01 10 3.63385833e+01 1.05704530e+02 -6.91101740e+01 11 -6.10903767e+00 -1.09099314e+02 1.51806053e+01 12 -9.93388048e+01 7.38646934e+01 4.26049852e+01 13 2.08953273e-01 -4.75774202e+01 -1.25087833e+02 14 6.27127345e+01 4.52076447e+01 -5.78072380e+01 15 1.30321565e+02 -5.94885994e+01 2.83339227e+01 16 -8.41159266e+01 1.29843668e+02 2.31829946e+01 17 -8.05345141e+01 -5.32529974e+01 -3.10479546e+01 18 2.41361563e+01 6.46172050e+01 -4.95924878e+01 19 2.99581822e+01 -7.76420959e+01 6.65563635e+01 20 -5.85427623e+01 4.15883780e+01 6.36417260e+01 21 -4.75406268e+01 -1.77384127e+02 6.60555913e+01 22 2.02606454e+02 6.79657216e+01 3.95989757e+01 23 3.07744531e+01 -1.66791278e+01 3.95222834e+01 24 1.72914849e+01 2.46090772e+01 5.66973713e+01 25 -5.43834500e+01 -3.51154197e+01 -3.51704270e+01 26 3.12612527e+01 9.23961720e+01 -4.37804557e+01 27 1.95942897e+01 -7.77508028e+01 6.97708217e+01 28 -1.20444540e+02 7.81781941e+01 8.02762367e+01 29 -1.59565969e+01 -6.85377622e+01 -6.41582126e+00 30 9.14681894e+01 6.09128006e+01 -3.93579724e+00 31 4.52056588e+01 -2.82786418e+01 5.33643704e+01 32 2.05667196e+01 4.72463146e+01 9.82302303e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Sn (Configuration in file "config-T-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1113.7315161084794 Forces: 1 -2.07388768e+01 -6.32145565e+01 -4.42474347e+01 2 1.33679905e+01 3.24518174e+01 -6.53515841e+01 3 4.12745514e+00 -7.44921342e+01 -1.47507190e+01 4 -6.49643323e+01 6.05497423e+01 2.47119781e+01 5 5.13478663e+00 -5.93925383e+01 -1.72513952e+01 6 4.03406583e+01 -3.19354675e-01 -3.47103278e+01 7 2.73747779e+01 -8.48267883e+01 -5.19218147e+01 8 -1.19769791e+02 1.62625685e+02 -3.16488196e+01 9 -6.03510857e+01 -5.47099629e+01 -8.58981724e+01 10 3.63385833e+01 1.05704530e+02 -6.91101740e+01 11 -6.10903767e+00 -1.09099314e+02 1.51806053e+01 12 -9.93388048e+01 7.38646934e+01 4.26049852e+01 13 2.08953273e-01 -4.75774202e+01 -1.25087833e+02 14 6.27127345e+01 4.52076447e+01 -5.78072380e+01 15 1.30321565e+02 -5.94885994e+01 2.83339227e+01 16 -8.41159266e+01 1.29843668e+02 2.31829946e+01 17 -8.05345141e+01 -5.32529974e+01 -3.10479546e+01 18 2.41361563e+01 6.46172050e+01 -4.95924878e+01 19 2.99581822e+01 -7.76420959e+01 6.65563635e+01 20 -5.85427623e+01 4.15883780e+01 6.36417260e+01 21 -4.75406268e+01 -1.77384127e+02 6.60555913e+01 22 2.02606454e+02 6.79657216e+01 3.95989757e+01 23 3.07744531e+01 -1.66791278e+01 3.95222834e+01 24 1.72914849e+01 2.46090772e+01 5.66973713e+01 25 -5.43834500e+01 -3.51154197e+01 -3.51704270e+01 26 3.12612527e+01 9.23961720e+01 -4.37804557e+01 27 1.95942897e+01 -7.77508028e+01 6.97708217e+01 28 -1.20444540e+02 7.81781941e+01 8.02762367e+01 29 -1.59565969e+01 -6.85377622e+01 -6.41582126e+00 30 9.14681894e+01 6.09128006e+01 -3.93579724e+00 31 4.52056588e+01 -2.82786418e+01 5.33643704e+01 32 2.05667196e+01 4.72463146e+01 9.82302303e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1406== Memcheck, a memory error detector ==1406== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1406== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1406== Command: python runner2.py Sim_LAMMPS_MEAM_VellaChenStillinger_2017_Sn__SM_629915663723_000 ==1406== ==1406== Conditional jump or move depends on uninitialised value(s) ==1406== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==1406== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1406== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1406== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1406== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1406== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1406== by 0x551B80: ??? (in /usr/bin/python3.6) ==1406== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1406== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1406== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1406== by 0x509D47: ??? (in /usr/bin/python3.6) ==1406== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1406== ==1406== Conditional jump or move depends on uninitialised value(s) ==1406== at 0x4E63408: internal_utf8_loop (loop.c:298) ==1406== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==1406== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1406== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1406== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1406== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1406== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1406== by 0x551B80: ??? (in /usr/bin/python3.6) ==1406== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1406== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1406== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1406== by 0x509D47: ??? (in /usr/bin/python3.6) ==1406== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1406== ==1406== Conditional jump or move depends on uninitialised value(s) ==1406== at 0x4E63411: internal_utf8_loop (loop.c:303) ==1406== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==1406== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1406== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1406== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1406== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1406== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1406== by 0x551B80: ??? (in /usr/bin/python3.6) ==1406== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1406== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1406== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1406== by 0x509D47: ??? (in /usr/bin/python3.6) ==1406== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1406== ==1406== Conditional jump or move depends on uninitialised value(s) ==1406== at 0x4E63458: internal_utf8_loop (loop.c:298) ==1406== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==1406== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1406== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1406== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1406== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1406== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1406== by 0x551B80: ??? (in /usr/bin/python3.6) ==1406== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1406== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1406== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1406== by 0x509D47: ??? (in /usr/bin/python3.6) ==1406== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1406== ==1406== Conditional jump or move depends on uninitialised value(s) ==1406== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==1406== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1406== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1406== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1406== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==1406== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==1406== by 0x4F8388: ??? (in /usr/bin/python3.6) ==1406== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==1406== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==1406== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==1406== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==1406== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1406== --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --1406-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==1406== ==1406== HEAP SUMMARY: ==1406== in use at exit: 3,062,509 bytes in 1,951 blocks ==1406== total heap usage: 46,929 allocs, 44,978 frees, 93,047,503 bytes allocated ==1406== ==1406== LEAK SUMMARY: ==1406== definitely lost: 0 bytes in 0 blocks ==1406== indirectly lost: 0 bytes in 0 blocks ==1406== possibly lost: 151,315 bytes in 96 blocks ==1406== still reachable: 2,911,194 bytes in 1,855 blocks ==1406== suppressed: 0 bytes in 0 blocks ==1406== Rerun with --leak-check=full to see details of leaked memory ==1406== ==1406== For counts of detected and suppressed errors, rerun with: -v ==1406== Use --track-origins=yes to see where uninitialised values come from ==1406== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12299 from 665) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.