Enter a model name: === Verification check vc-memory-leak start (2020-04-05 21:30:18) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_PascuetFernandez_2015_Al__SM_811588957187_000 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 383.16096939124856 Forces: 1 -1.53036900e+01 -2.28798686e+01 -2.71147935e+01 2 -2.32864776e+01 4.81454320e+01 -3.53368545e+01 3 1.63895165e+01 -3.40738778e+01 -2.73444098e+00 4 -1.90844509e+01 2.16960375e+01 1.24545469e+01 5 1.72583008e+01 -5.54348492e+01 -1.09281301e+00 6 2.04723194e+01 -1.53006080e+00 -2.44975941e+01 7 8.69685200e+00 -4.13248120e+01 -4.10575488e+01 8 -3.25504477e+01 -2.18866720e+01 5.63992276e+00 9 -1.30048080e+01 -1.74438681e+01 -4.22000571e+01 10 -2.83943256e+01 8.09128875e+01 -9.78577354e+01 11 -6.55213780e+00 -7.65803889e+01 1.51033215e+01 12 -3.79151770e+01 5.15311227e+01 -5.18230769e-01 13 1.55542715e+00 -2.41464912e+01 -8.51921586e+01 14 2.56179185e+01 2.41740866e+01 -2.10175063e+01 15 9.27449782e+01 -1.49795097e+01 2.55713407e+01 16 -1.41032571e+01 5.54435807e+01 6.54233577e+01 17 -4.56692162e+01 -2.82906165e+01 -1.77873717e+01 18 2.03887369e+01 4.16035472e+01 -1.63548818e+01 19 2.74752460e+01 -4.16044742e+01 3.17029861e+01 20 -2.63848124e+01 2.95454495e+01 2.93809562e+01 21 -4.70476467e+01 -3.87721280e+01 2.69428649e+01 22 6.47912379e+01 4.59855527e+01 2.53257783e+01 23 1.37015144e+01 -6.08592976e+00 2.23534707e+01 24 5.82954725e+00 7.90639935e+00 1.73367065e+01 25 -3.40724231e+01 -2.26977324e+01 2.57483216e+01 26 1.17770501e+00 5.61583399e+01 -2.75020101e+01 27 1.87863004e+01 -7.37779682e+01 3.03194297e+01 28 -7.14013468e+01 4.82917118e+01 2.13566203e+01 29 -1.24654186e+01 -3.67765218e+01 5.46204680e+00 30 3.22110823e+01 3.61457541e+01 -1.66425950e+00 31 3.84815690e+01 -2.32336995e+01 3.42941511e+01 32 2.16573840e+01 3.39795672e+01 4.75124346e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 383.16096939124856 Forces: 1 -1.53036900e+01 -2.28798686e+01 -2.71147935e+01 2 -2.32864776e+01 4.81454320e+01 -3.53368545e+01 3 1.63895165e+01 -3.40738778e+01 -2.73444098e+00 4 -1.90844509e+01 2.16960375e+01 1.24545469e+01 5 1.72583008e+01 -5.54348492e+01 -1.09281301e+00 6 2.04723194e+01 -1.53006080e+00 -2.44975941e+01 7 8.69685200e+00 -4.13248120e+01 -4.10575488e+01 8 -3.25504477e+01 -2.18866720e+01 5.63992276e+00 9 -1.30048080e+01 -1.74438681e+01 -4.22000571e+01 10 -2.83943256e+01 8.09128875e+01 -9.78577354e+01 11 -6.55213780e+00 -7.65803889e+01 1.51033215e+01 12 -3.79151770e+01 5.15311227e+01 -5.18230769e-01 13 1.55542715e+00 -2.41464912e+01 -8.51921586e+01 14 2.56179185e+01 2.41740866e+01 -2.10175063e+01 15 9.27449782e+01 -1.49795097e+01 2.55713407e+01 16 -1.41032571e+01 5.54435807e+01 6.54233577e+01 17 -4.56692162e+01 -2.82906165e+01 -1.77873717e+01 18 2.03887369e+01 4.16035472e+01 -1.63548818e+01 19 2.74752460e+01 -4.16044742e+01 3.17029861e+01 20 -2.63848124e+01 2.95454495e+01 2.93809562e+01 21 -4.70476467e+01 -3.87721280e+01 2.69428649e+01 22 6.47912379e+01 4.59855527e+01 2.53257783e+01 23 1.37015144e+01 -6.08592976e+00 2.23534707e+01 24 5.82954725e+00 7.90639935e+00 1.73367065e+01 25 -3.40724231e+01 -2.26977324e+01 2.57483216e+01 26 1.17770501e+00 5.61583399e+01 -2.75020101e+01 27 1.87863004e+01 -7.37779682e+01 3.03194297e+01 28 -7.14013468e+01 4.82917118e+01 2.13566203e+01 29 -1.24654186e+01 -3.67765218e+01 5.46204680e+00 30 3.22110823e+01 3.61457541e+01 -1.66425950e+00 31 3.84815690e+01 -2.32336995e+01 3.42941511e+01 32 2.16573840e+01 3.39795672e+01 4.75124346e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==5543== Memcheck, a memory error detector ==5543== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==5543== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==5543== Command: python runner2.py Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 ==5543== ==5543== Conditional jump or move depends on uninitialised value(s) ==5543== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==5543== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==5543== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5543== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5543== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5543== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5543== by 0x551B80: ??? (in /usr/bin/python3.6) ==5543== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5543== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5543== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5543== by 0x509D47: ??? (in /usr/bin/python3.6) ==5543== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5543== ==5543== Conditional jump or move depends on uninitialised value(s) ==5543== at 0x4E63408: internal_utf8_loop (loop.c:298) ==5543== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==5543== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==5543== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5543== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5543== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5543== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5543== by 0x551B80: ??? (in /usr/bin/python3.6) ==5543== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5543== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5543== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5543== by 0x509D47: ??? (in /usr/bin/python3.6) ==5543== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5543== ==5543== Conditional jump or move depends on uninitialised value(s) ==5543== at 0x4E63411: internal_utf8_loop (loop.c:303) ==5543== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==5543== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==5543== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5543== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5543== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5543== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5543== by 0x551B80: ??? (in /usr/bin/python3.6) ==5543== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5543== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5543== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5543== by 0x509D47: ??? (in /usr/bin/python3.6) ==5543== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5543== ==5543== Conditional jump or move depends on uninitialised value(s) ==5543== at 0x4E63458: internal_utf8_loop (loop.c:298) ==5543== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==5543== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==5543== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5543== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5543== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5543== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5543== by 0x551B80: ??? (in /usr/bin/python3.6) ==5543== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5543== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5543== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5543== by 0x509D47: ??? (in /usr/bin/python3.6) ==5543== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5543== ==5543== Conditional jump or move depends on uninitialised value(s) ==5543== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==5543== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==5543== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5543== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5543== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==5543== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==5543== by 0x4F8388: ??? (in /usr/bin/python3.6) ==5543== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==5543== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==5543== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==5543== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==5543== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5543== --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5543-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==5543== ==5543== HEAP SUMMARY: ==5543== in use at exit: 3,062,473 bytes in 1,951 blocks ==5543== total heap usage: 46,832 allocs, 44,881 frees, 93,068,376 bytes allocated ==5543== ==5543== LEAK SUMMARY: ==5543== definitely lost: 0 bytes in 0 blocks ==5543== indirectly lost: 0 bytes in 0 blocks ==5543== possibly lost: 151,315 bytes in 96 blocks ==5543== still reachable: 2,911,158 bytes in 1,855 blocks ==5543== suppressed: 0 bytes in 0 blocks ==5543== Rerun with --leak-check=full to see details of leaked memory ==5543== ==5543== For counts of detected and suppressed errors, rerun with: -v ==5543== Use --track-origins=yes to see where uninitialised values come from ==5543== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12311 from 666) ================================================================================ 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. === Verification check vc-memory-leak end (2020-04-05 21:31:05) ===