!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -26.938003538838103 Forces: 1 -3.68597978e+00 -4.34419323e+00 -6.00393514e+00 2 -5.16461590e+00 7.04653625e+00 -4.97458808e+00 3 2.17870509e+00 -3.72053830e+00 4.53270706e+00 4 -3.09467606e+00 3.28012791e+00 3.20864152e+00 5 5.74967235e+00 -9.51756498e+00 -3.11108914e+00 6 4.68582527e+00 -2.67230293e+00 -6.73285277e+00 7 6.05122779e+00 -1.70314731e+01 -1.85084308e+01 8 -2.00336161e+01 -1.38286401e+01 1.86909423e+00 9 -5.31267778e+00 -3.10929591e+00 -7.91250019e+00 10 -3.91510437e+00 1.02239746e+01 -1.10176023e+01 11 -4.88943719e+00 -7.48940329e+00 4.10928218e+00 12 -4.69362644e+00 6.18383107e+00 9.81811602e-01 13 -5.13323728e+00 -1.24696646e+00 -2.47178934e+01 14 3.69768023e+00 3.97682225e+00 -1.62856261e+00 15 3.05839948e+01 9.94730405e+00 7.39410420e+00 16 5.05430266e+00 1.63422201e+01 7.89764636e+00 17 -6.41678543e+00 -4.33397685e+00 -3.79425550e+00 18 2.99433254e+00 5.65569099e+00 -6.14064415e+00 19 3.76828512e+00 -7.94588105e+00 6.45118417e+00 20 -4.28826337e+00 3.90840644e+00 5.04529798e+00 21 -1.06727203e+01 -6.55945961e+00 7.31318057e+00 22 1.26244500e+01 9.69155331e+00 1.13604829e+01 23 3.57605873e+00 -4.84227704e-01 5.89598361e+00 24 3.22013174e-01 -2.42567898e+00 3.77440187e+00 25 -7.00289041e+00 -4.37295894e+00 9.17088982e-01 26 -3.57439315e+00 1.11968320e+01 -4.65964438e+00 27 1.29204283e+01 -2.23483247e+01 7.47191514e+00 28 -2.15220262e+01 1.90810256e+01 3.47540525e+00 29 -3.41699864e+00 -4.88937290e+00 3.79575499e+00 30 3.99577343e+00 6.10187791e+00 -1.09945943e+00 31 9.58184465e+00 -4.01486806e+00 6.46536501e+00 32 5.03245426e+00 7.69892459e+00 8.34211023e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -26.938003538838103 Forces: 1 -3.68597978e+00 -4.34419323e+00 -6.00393514e+00 2 -5.16461590e+00 7.04653625e+00 -4.97458808e+00 3 2.17870509e+00 -3.72053830e+00 4.53270706e+00 4 -3.09467606e+00 3.28012791e+00 3.20864152e+00 5 5.74967235e+00 -9.51756498e+00 -3.11108914e+00 6 4.68582527e+00 -2.67230293e+00 -6.73285277e+00 7 6.05122779e+00 -1.70314731e+01 -1.85084308e+01 8 -2.00336161e+01 -1.38286401e+01 1.86909423e+00 9 -5.31267778e+00 -3.10929591e+00 -7.91250019e+00 10 -3.91510437e+00 1.02239746e+01 -1.10176023e+01 11 -4.88943719e+00 -7.48940329e+00 4.10928218e+00 12 -4.69362644e+00 6.18383107e+00 9.81811602e-01 13 -5.13323728e+00 -1.24696646e+00 -2.47178934e+01 14 3.69768023e+00 3.97682225e+00 -1.62856261e+00 15 3.05839948e+01 9.94730405e+00 7.39410420e+00 16 5.05430266e+00 1.63422201e+01 7.89764636e+00 17 -6.41678543e+00 -4.33397685e+00 -3.79425550e+00 18 2.99433254e+00 5.65569099e+00 -6.14064415e+00 19 3.76828512e+00 -7.94588105e+00 6.45118417e+00 20 -4.28826337e+00 3.90840644e+00 5.04529798e+00 21 -1.06727203e+01 -6.55945961e+00 7.31318057e+00 22 1.26244500e+01 9.69155331e+00 1.13604829e+01 23 3.57605873e+00 -4.84227704e-01 5.89598361e+00 24 3.22013174e-01 -2.42567898e+00 3.77440187e+00 25 -7.00289041e+00 -4.37295894e+00 9.17088982e-01 26 -3.57439315e+00 1.11968320e+01 -4.65964438e+00 27 1.29204283e+01 -2.23483247e+01 7.47191514e+00 28 -2.15220262e+01 1.90810256e+01 3.47540525e+00 29 -3.41699864e+00 -4.88937290e+00 3.79575499e+00 30 3.99577343e+00 6.10187791e+00 -1.09945943e+00 31 9.58184465e+00 -4.01486806e+00 6.46536501e+00 32 5.03245426e+00 7.69892459e+00 8.34211023e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4314== Memcheck, a memory error detector ==4314== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4314== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==4314== Command: python runner2.py Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000 ==4314== ==4314== Conditional jump or move depends on uninitialised value(s) ==4314== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==4314== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==4314== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4314== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4314== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4314== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4314== by 0x551B80: ??? (in /usr/bin/python3.6) ==4314== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4314== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4314== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4314== by 0x509D47: ??? (in /usr/bin/python3.6) ==4314== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4314== ==4314== Conditional jump or move depends on uninitialised value(s) ==4314== at 0x4E63408: internal_utf8_loop (loop.c:298) ==4314== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==4314== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4314== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4314== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4314== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4314== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4314== by 0x551B80: ??? (in /usr/bin/python3.6) ==4314== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4314== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4314== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4314== by 0x509D47: ??? (in /usr/bin/python3.6) ==4314== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4314== ==4314== Conditional jump or move depends on uninitialised value(s) ==4314== at 0x4E63411: internal_utf8_loop (loop.c:303) ==4314== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==4314== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4314== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4314== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4314== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4314== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4314== by 0x551B80: ??? (in /usr/bin/python3.6) ==4314== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4314== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4314== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4314== by 0x509D47: ??? (in /usr/bin/python3.6) ==4314== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4314== ==4314== Conditional jump or move depends on uninitialised value(s) ==4314== at 0x4E63458: internal_utf8_loop (loop.c:298) ==4314== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==4314== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4314== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4314== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4314== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4314== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4314== by 0x551B80: ??? (in /usr/bin/python3.6) ==4314== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4314== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4314== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4314== by 0x509D47: ??? (in /usr/bin/python3.6) ==4314== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4314== ==4314== Conditional jump or move depends on uninitialised value(s) ==4314== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==4314== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==4314== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4314== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4314== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==4314== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==4314== by 0x4F8388: ??? (in /usr/bin/python3.6) ==4314== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==4314== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==4314== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==4314== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==4314== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4314== --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4314-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==4314== ==4314== HEAP SUMMARY: ==4314== in use at exit: 3,062,509 bytes in 1,951 blocks ==4314== total heap usage: 46,835 allocs, 44,884 frees, 93,118,225 bytes allocated ==4314== ==4314== LEAK SUMMARY: ==4314== definitely lost: 0 bytes in 0 blocks ==4314== indirectly lost: 0 bytes in 0 blocks ==4314== possibly lost: 151,315 bytes in 96 blocks ==4314== still reachable: 2,911,194 bytes in 1,855 blocks ==4314== suppressed: 0 bytes in 0 blocks ==4314== Rerun with --leak-check=full to see details of leaked memory ==4314== ==4314== For counts of detected and suppressed errors, rerun with: -v ==4314== Use --track-origins=yes to see where uninitialised values come from ==4314== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12295 from 670) ================================================================================ 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.