!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_ErcolessiAdams_1994_Al__MO_324507536345_003 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 = 97.55815441174992 Forces: 1 -5.83719474e+00 -8.83756960e+00 -9.65666531e+00 2 -5.20442260e+00 2.82321534e+00 -1.18907779e+01 3 5.74196546e+00 -1.28557753e+01 -3.73801757e+00 4 -1.19301060e+01 3.66323148e+00 3.56113043e-01 5 3.98960605e-01 -1.58176953e+01 -7.55452201e+00 6 9.91401793e+00 2.01166640e+00 -1.18099340e+01 7 1.04918008e+01 -1.89897114e+01 -1.02904071e+01 8 -7.64080967e+00 -8.34745034e+00 6.33257081e+00 9 -1.09022724e+01 -6.67913677e+00 -1.71388508e+01 10 -7.36522749e-01 2.07736964e+01 -1.33711820e+01 11 -3.83794513e+00 -8.53959940e+00 5.40905991e+00 12 -1.30936125e+01 1.70719759e+01 1.79079968e+00 13 -1.57721421e+00 -6.73923523e+00 -3.09558945e+01 14 1.06506987e+01 1.29914658e+01 -1.17956110e+01 15 2.91923294e+01 -1.03024870e+01 4.89729784e+00 16 -4.04568523e+00 2.78217387e+01 8.17133447e+00 17 -1.83570808e+01 -1.18460000e+01 -3.26176067e+00 18 9.28123817e+00 1.02572299e+01 1.34315186e+00 19 6.23791351e+00 -1.39319359e+01 1.06783594e+01 20 -8.89933168e+00 8.37996818e+00 1.07733769e+01 21 -1.06198923e+01 -1.10674862e+01 4.52235984e+00 22 1.59703229e+01 1.51193262e+01 8.35286829e+00 23 5.52123918e+00 -2.92495658e+00 9.79216917e+00 24 2.24321688e+00 5.85976647e-01 7.28067846e+00 25 -1.37937780e+01 -3.99261001e+00 1.07877665e+01 26 -3.43225822e+00 1.93517171e+01 -9.31620241e+00 27 1.13712644e+00 -1.90828957e+01 1.15546331e+01 28 -1.76383953e+01 1.31688184e+01 5.56534877e+00 29 -3.21524232e+00 -1.26567783e+01 3.67947848e+00 30 1.26100453e+01 1.24349429e+01 1.14111336e+00 31 1.46405820e+01 -8.35577967e+00 1.24700794e+01 32 6.73030659e+00 1.45121333e+01 1.58812660e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 97.55815441174992 Forces: 1 -5.83719474e+00 -8.83756960e+00 -9.65666531e+00 2 -5.20442260e+00 2.82321534e+00 -1.18907779e+01 3 5.74196546e+00 -1.28557753e+01 -3.73801757e+00 4 -1.19301060e+01 3.66323148e+00 3.56113043e-01 5 3.98960605e-01 -1.58176953e+01 -7.55452201e+00 6 9.91401793e+00 2.01166640e+00 -1.18099340e+01 7 1.04918008e+01 -1.89897114e+01 -1.02904071e+01 8 -7.64080967e+00 -8.34745034e+00 6.33257081e+00 9 -1.09022724e+01 -6.67913677e+00 -1.71388508e+01 10 -7.36522749e-01 2.07736964e+01 -1.33711820e+01 11 -3.83794513e+00 -8.53959940e+00 5.40905991e+00 12 -1.30936125e+01 1.70719759e+01 1.79079968e+00 13 -1.57721421e+00 -6.73923523e+00 -3.09558945e+01 14 1.06506987e+01 1.29914658e+01 -1.17956110e+01 15 2.91923294e+01 -1.03024870e+01 4.89729784e+00 16 -4.04568523e+00 2.78217387e+01 8.17133447e+00 17 -1.83570808e+01 -1.18460000e+01 -3.26176067e+00 18 9.28123817e+00 1.02572299e+01 1.34315186e+00 19 6.23791351e+00 -1.39319359e+01 1.06783594e+01 20 -8.89933168e+00 8.37996818e+00 1.07733769e+01 21 -1.06198923e+01 -1.10674862e+01 4.52235984e+00 22 1.59703229e+01 1.51193262e+01 8.35286829e+00 23 5.52123918e+00 -2.92495658e+00 9.79216917e+00 24 2.24321688e+00 5.85976647e-01 7.28067846e+00 25 -1.37937780e+01 -3.99261001e+00 1.07877665e+01 26 -3.43225822e+00 1.93517171e+01 -9.31620241e+00 27 1.13712644e+00 -1.90828957e+01 1.15546331e+01 28 -1.76383953e+01 1.31688184e+01 5.56534877e+00 29 -3.21524232e+00 -1.26567783e+01 3.67947848e+00 30 1.26100453e+01 1.24349429e+01 1.14111336e+00 31 1.46405820e+01 -8.35577967e+00 1.24700794e+01 32 6.73030659e+00 1.45121333e+01 1.58812660e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1226== Memcheck, a memory error detector ==1226== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1226== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1226== Command: python runner2.py EAM_ErcolessiAdams_1994_Al__MO_324507536345_003 ==1226== ==1226== Conditional jump or move depends on uninitialised value(s) ==1226== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==1226== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1226== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1226== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1226== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1226== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1226== by 0x551B80: ??? (in /usr/bin/python3.6) ==1226== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1226== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1226== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1226== by 0x509D47: ??? (in /usr/bin/python3.6) ==1226== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1226== ==1226== Conditional jump or move depends on uninitialised value(s) ==1226== at 0x4E63408: internal_utf8_loop (loop.c:298) ==1226== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==1226== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1226== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1226== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1226== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1226== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1226== by 0x551B80: ??? (in /usr/bin/python3.6) ==1226== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1226== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1226== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1226== by 0x509D47: ??? (in /usr/bin/python3.6) ==1226== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1226== ==1226== Conditional jump or move depends on uninitialised value(s) ==1226== at 0x4E63411: internal_utf8_loop (loop.c:303) ==1226== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==1226== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1226== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1226== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1226== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1226== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1226== by 0x551B80: ??? (in /usr/bin/python3.6) ==1226== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1226== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1226== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1226== by 0x509D47: ??? (in /usr/bin/python3.6) ==1226== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1226== ==1226== Conditional jump or move depends on uninitialised value(s) ==1226== at 0x4E63458: internal_utf8_loop (loop.c:298) ==1226== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==1226== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1226== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1226== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1226== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1226== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1226== by 0x551B80: ??? (in /usr/bin/python3.6) ==1226== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1226== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1226== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1226== by 0x509D47: ??? (in /usr/bin/python3.6) ==1226== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1226== ==1226== Conditional jump or move depends on uninitialised value(s) ==1226== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==1226== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1226== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1226== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1226== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==1226== by 0x4CAD31: ??? (in /usr/bin/python3.6) ==1226== by 0x551B80: ??? (in /usr/bin/python3.6) ==1226== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1226== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1226== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1226== by 0x509D47: ??? (in /usr/bin/python3.6) ==1226== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1226== ==1226== ==1226== HEAP SUMMARY: ==1226== in use at exit: 2,766,211 bytes in 1,649 blocks ==1226== total heap usage: 35,884 allocs, 34,235 frees, 61,712,794 bytes allocated ==1226== ==1226== LEAK SUMMARY: ==1226== definitely lost: 0 bytes in 0 blocks ==1226== indirectly lost: 0 bytes in 0 blocks ==1226== possibly lost: 146,771 bytes in 88 blocks ==1226== still reachable: 2,619,440 bytes in 1,561 blocks ==1226== suppressed: 0 bytes in 0 blocks ==1226== Rerun with --leak-check=full to see details of leaked memory ==1226== ==1226== For counts of detected and suppressed errors, rerun with: -v ==1226== Use --track-origins=yes to see where uninitialised values come from ==1226== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11749 from 707) ================================================================================ 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.