!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ADP_HowellsMishin_2018_Cr__SM_884076133432_000 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -46.59246035881276 Forces: 1 -2.45176951e+00 -2.32382730e+00 -4.12547995e+00 2 -1.90593909e+00 3.96069651e+00 -3.88781848e+00 3 2.54076474e+00 -3.18185444e+00 3.77256473e+00 4 -2.95906683e+00 2.93272411e+00 1.46051400e+00 5 2.76922704e+00 -4.61268986e+00 -5.84006144e-01 6 1.54931252e+00 1.70447398e+00 -1.75653410e+00 7 1.50826083e+00 -9.96559622e+00 -9.25193148e+00 8 -5.28159354e+00 -4.77008235e+00 -7.67090693e-01 9 -5.82186884e+00 -5.32985465e+00 -6.95699949e+00 10 4.89929957e+00 7.91182462e+00 -4.08117595e+00 11 -9.92945747e-01 -4.51032522e+00 4.99306369e+00 12 -4.67830445e+00 4.78240459e+00 3.71180322e+00 13 -3.64157541e+00 -4.95340568e+00 -1.67419639e+01 14 3.33797234e+00 3.50191462e+00 -3.72489033e+00 15 1.60101907e+01 -7.73361356e+00 1.83759258e+00 16 -6.99624107e+00 1.43208064e+01 2.18408801e+00 17 -4.99336223e+00 -3.85241739e+00 -2.73634920e+00 18 3.52141973e+00 2.75787636e+00 -7.06610238e-01 19 2.65378192e+00 -4.88345180e+00 2.61722309e+00 20 -2.40784077e+00 3.84360920e+00 2.76832954e+00 21 -6.19363430e+00 -3.92838886e+00 1.46528470e+00 22 7.47555650e+00 9.32071208e+00 7.13666573e+00 23 1.23867462e+00 -1.10515886e-01 3.01147848e+00 24 1.44111852e+00 1.85474156e+00 1.61248560e+00 25 -3.07805630e+00 -1.81150876e+00 1.29566140e+00 26 -4.71504319e+00 7.55065301e+00 -5.79268605e+00 27 4.50519160e+00 -1.19897495e+01 3.45658578e+00 28 -9.02259784e+00 8.02946957e+00 8.27907098e-01 29 -2.12619287e+00 -5.51288554e+00 4.20353551e+00 30 5.13149653e+00 5.64019294e+00 5.03473048e+00 31 4.79092944e+00 -3.57265525e+00 2.69450167e+00 32 3.89283535e+00 4.93072274e+00 7.02952066e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -46.59246035881276 Forces: 1 -2.45176951e+00 -2.32382730e+00 -4.12547995e+00 2 -1.90593909e+00 3.96069651e+00 -3.88781848e+00 3 2.54076474e+00 -3.18185444e+00 3.77256473e+00 4 -2.95906683e+00 2.93272411e+00 1.46051400e+00 5 2.76922704e+00 -4.61268986e+00 -5.84006144e-01 6 1.54931252e+00 1.70447398e+00 -1.75653410e+00 7 1.50826083e+00 -9.96559622e+00 -9.25193148e+00 8 -5.28159354e+00 -4.77008235e+00 -7.67090693e-01 9 -5.82186884e+00 -5.32985465e+00 -6.95699949e+00 10 4.89929957e+00 7.91182462e+00 -4.08117595e+00 11 -9.92945747e-01 -4.51032522e+00 4.99306369e+00 12 -4.67830445e+00 4.78240459e+00 3.71180322e+00 13 -3.64157541e+00 -4.95340568e+00 -1.67419639e+01 14 3.33797234e+00 3.50191462e+00 -3.72489033e+00 15 1.60101907e+01 -7.73361356e+00 1.83759258e+00 16 -6.99624107e+00 1.43208064e+01 2.18408801e+00 17 -4.99336223e+00 -3.85241739e+00 -2.73634920e+00 18 3.52141973e+00 2.75787636e+00 -7.06610238e-01 19 2.65378192e+00 -4.88345180e+00 2.61722309e+00 20 -2.40784077e+00 3.84360920e+00 2.76832954e+00 21 -6.19363430e+00 -3.92838886e+00 1.46528470e+00 22 7.47555650e+00 9.32071208e+00 7.13666573e+00 23 1.23867462e+00 -1.10515886e-01 3.01147848e+00 24 1.44111852e+00 1.85474156e+00 1.61248560e+00 25 -3.07805630e+00 -1.81150876e+00 1.29566140e+00 26 -4.71504319e+00 7.55065301e+00 -5.79268605e+00 27 4.50519160e+00 -1.19897495e+01 3.45658578e+00 28 -9.02259784e+00 8.02946957e+00 8.27907098e-01 29 -2.12619287e+00 -5.51288554e+00 4.20353551e+00 30 5.13149653e+00 5.64019294e+00 5.03473048e+00 31 4.79092944e+00 -3.57265525e+00 2.69450167e+00 32 3.89283535e+00 4.93072274e+00 7.02952066e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2764== Memcheck, a memory error detector ==2764== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2764== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2764== Command: python runner2.py Sim_LAMMPS_ADP_HowellsMishin_2018_Cr__SM_884076133432_000 ==2764== ==2764== Conditional jump or move depends on uninitialised value(s) ==2764== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==2764== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2764== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2764== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2764== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2764== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2764== by 0x551B80: ??? (in /usr/bin/python3.6) ==2764== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2764== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2764== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2764== by 0x509D47: ??? (in /usr/bin/python3.6) ==2764== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2764== ==2764== Conditional jump or move depends on uninitialised value(s) ==2764== at 0x4E63408: internal_utf8_loop (loop.c:298) ==2764== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==2764== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2764== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2764== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2764== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2764== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2764== by 0x551B80: ??? (in /usr/bin/python3.6) ==2764== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2764== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2764== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2764== by 0x509D47: ??? (in /usr/bin/python3.6) ==2764== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2764== ==2764== Conditional jump or move depends on uninitialised value(s) ==2764== at 0x4E63411: internal_utf8_loop (loop.c:303) ==2764== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==2764== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2764== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2764== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2764== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2764== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2764== by 0x551B80: ??? (in /usr/bin/python3.6) ==2764== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2764== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2764== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2764== by 0x509D47: ??? (in /usr/bin/python3.6) ==2764== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2764== ==2764== Conditional jump or move depends on uninitialised value(s) ==2764== at 0x4E63458: internal_utf8_loop (loop.c:298) ==2764== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==2764== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2764== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2764== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2764== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2764== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2764== by 0x551B80: ??? (in /usr/bin/python3.6) ==2764== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2764== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2764== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2764== by 0x509D47: ??? (in /usr/bin/python3.6) ==2764== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2764== ==2764== Conditional jump or move depends on uninitialised value(s) ==2764== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==2764== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2764== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2764== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2764== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==2764== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==2764== by 0x4F8388: ??? (in /usr/bin/python3.6) ==2764== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==2764== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==2764== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==2764== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==2764== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2764== --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2764-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==2764== ==2764== HEAP SUMMARY: ==2764== in use at exit: 3,062,425 bytes in 1,951 blocks ==2764== total heap usage: 45,735 allocs, 43,784 frees, 100,883,630 bytes allocated ==2764== ==2764== LEAK SUMMARY: ==2764== definitely lost: 0 bytes in 0 blocks ==2764== indirectly lost: 0 bytes in 0 blocks ==2764== possibly lost: 151,315 bytes in 96 blocks ==2764== still reachable: 2,911,110 bytes in 1,855 blocks ==2764== suppressed: 0 bytes in 0 blocks ==2764== Rerun with --leak-check=full to see details of leaked memory ==2764== ==2764== For counts of detected and suppressed errors, rerun with: -v ==2764== Use --track-origins=yes to see where uninitialised values come from ==2764== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12277 from 659) ================================================================================ 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.