!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.674302521014283 Forces: 1 -7.91412582e+00 -1.27942145e+01 -1.46026928e+01 2 -2.85213920e+00 1.62373603e+01 -7.54000149e+00 3 4.52604952e+00 -7.69375003e+00 1.28907067e+01 4 -7.00872012e+00 1.06278158e+01 1.05678657e+01 5 3.56787045e+00 -1.77647169e+01 -3.82419166e+00 6 8.04622784e+00 8.19461634e+00 -7.16600781e+00 7 1.21111291e+01 -2.74587082e+01 -2.20679125e+01 8 -2.74818658e+01 -2.34127034e+01 -4.98394391e+00 9 -2.94609840e+00 -4.20185000e+00 -1.19114563e+01 10 -1.75209405e+01 1.75859841e+01 -2.21732459e+01 11 -8.59058165e+00 -1.19822675e+01 -3.36228423e+00 12 -4.08882330e+00 1.28811355e+01 -3.55330646e-01 13 1.72441692e+00 -1.72219656e+01 -4.34991262e+01 14 1.58517920e-01 2.85042243e+00 2.10501303e+00 15 4.63912437e+01 8.47671306e+00 -3.96040034e-01 16 1.37975610e+01 3.60282614e+01 1.88640523e+01 17 -7.57824783e+00 -3.29400070e+00 -6.74451979e+00 18 -1.20073994e+01 1.07286984e+01 -1.71537785e+01 19 4.59350085e+00 -1.82127423e+01 1.13787959e+01 20 -4.87438076e+00 9.00824292e+00 6.54517981e+00 21 -1.14829242e+01 -1.38882646e+01 7.72262184e+00 22 1.84149009e+01 1.85330862e+01 1.86115231e+01 23 3.44878559e+00 -1.83093364e+00 8.42579538e+00 24 9.53636397e+00 5.35011600e+00 1.28890226e+01 25 -1.40632483e+01 -1.12572056e+01 8.51559302e+00 26 -5.39657205e+00 2.00152974e+01 -1.28574690e+01 27 3.10995885e+00 -2.74954043e+01 1.14497732e+01 28 -1.82128174e+01 1.52686465e+01 5.29892316e+00 29 -9.60185853e+00 -1.04108138e+01 1.82966451e+01 30 6.65778482e+00 1.17253376e+01 -1.02499759e+00 31 1.61126429e+01 -9.57802608e+00 1.05623816e+01 32 9.42378900e+00 1.49858333e+01 1.55391060e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.674302521014283 Forces: 1 -7.91412582e+00 -1.27942145e+01 -1.46026928e+01 2 -2.85213920e+00 1.62373603e+01 -7.54000149e+00 3 4.52604952e+00 -7.69375003e+00 1.28907067e+01 4 -7.00872012e+00 1.06278158e+01 1.05678657e+01 5 3.56787045e+00 -1.77647169e+01 -3.82419166e+00 6 8.04622784e+00 8.19461634e+00 -7.16600781e+00 7 1.21111291e+01 -2.74587082e+01 -2.20679125e+01 8 -2.74818658e+01 -2.34127034e+01 -4.98394391e+00 9 -2.94609840e+00 -4.20185000e+00 -1.19114563e+01 10 -1.75209405e+01 1.75859841e+01 -2.21732459e+01 11 -8.59058165e+00 -1.19822675e+01 -3.36228423e+00 12 -4.08882330e+00 1.28811355e+01 -3.55330646e-01 13 1.72441692e+00 -1.72219656e+01 -4.34991262e+01 14 1.58517920e-01 2.85042243e+00 2.10501303e+00 15 4.63912437e+01 8.47671306e+00 -3.96040034e-01 16 1.37975610e+01 3.60282614e+01 1.88640523e+01 17 -7.57824783e+00 -3.29400070e+00 -6.74451979e+00 18 -1.20073994e+01 1.07286984e+01 -1.71537785e+01 19 4.59350085e+00 -1.82127423e+01 1.13787959e+01 20 -4.87438076e+00 9.00824292e+00 6.54517981e+00 21 -1.14829242e+01 -1.38882646e+01 7.72262184e+00 22 1.84149009e+01 1.85330862e+01 1.86115231e+01 23 3.44878559e+00 -1.83093364e+00 8.42579538e+00 24 9.53636397e+00 5.35011600e+00 1.28890226e+01 25 -1.40632483e+01 -1.12572056e+01 8.51559302e+00 26 -5.39657205e+00 2.00152974e+01 -1.28574690e+01 27 3.10995885e+00 -2.74954043e+01 1.14497732e+01 28 -1.82128174e+01 1.52686465e+01 5.29892316e+00 29 -9.60185853e+00 -1.04108138e+01 1.82966451e+01 30 6.65778482e+00 1.17253376e+01 -1.02499759e+00 31 1.61126429e+01 -9.57802608e+00 1.05623816e+01 32 9.42378900e+00 1.49858333e+01 1.55391060e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1616== Memcheck, a memory error detector ==1616== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1616== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1616== Command: python runner2.py SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 ==1616== ==1616== Conditional jump or move depends on uninitialised value(s) ==1616== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==1616== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1616== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1616== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1616== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1616== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1616== by 0x551B80: ??? (in /usr/bin/python3.6) ==1616== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1616== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1616== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1616== by 0x509D47: ??? (in /usr/bin/python3.6) ==1616== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1616== ==1616== Conditional jump or move depends on uninitialised value(s) ==1616== at 0x4E63408: internal_utf8_loop (loop.c:298) ==1616== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==1616== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1616== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1616== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1616== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1616== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1616== by 0x551B80: ??? (in /usr/bin/python3.6) ==1616== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1616== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1616== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1616== by 0x509D47: ??? (in /usr/bin/python3.6) ==1616== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1616== ==1616== Conditional jump or move depends on uninitialised value(s) ==1616== at 0x4E63411: internal_utf8_loop (loop.c:303) ==1616== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==1616== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1616== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1616== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1616== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1616== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1616== by 0x551B80: ??? (in /usr/bin/python3.6) ==1616== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1616== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1616== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1616== by 0x509D47: ??? (in /usr/bin/python3.6) ==1616== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1616== ==1616== Conditional jump or move depends on uninitialised value(s) ==1616== at 0x4E63458: internal_utf8_loop (loop.c:298) ==1616== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==1616== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1616== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1616== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1616== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1616== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1616== by 0x551B80: ??? (in /usr/bin/python3.6) ==1616== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1616== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1616== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1616== by 0x509D47: ??? (in /usr/bin/python3.6) ==1616== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1616== ==1616== Conditional jump or move depends on uninitialised value(s) ==1616== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==1616== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1616== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1616== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1616== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==1616== by 0x4CAD31: ??? (in /usr/bin/python3.6) ==1616== by 0x551B80: ??? (in /usr/bin/python3.6) ==1616== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1616== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1616== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1616== by 0x509D47: ??? (in /usr/bin/python3.6) ==1616== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1616== ==1616== ==1616== HEAP SUMMARY: ==1616== in use at exit: 2,764,995 bytes in 1,647 blocks ==1616== total heap usage: 36,370 allocs, 34,723 frees, 63,173,716 bytes allocated ==1616== ==1616== LEAK SUMMARY: ==1616== definitely lost: 0 bytes in 0 blocks ==1616== indirectly lost: 0 bytes in 0 blocks ==1616== possibly lost: 146,155 bytes in 87 blocks ==1616== still reachable: 2,618,840 bytes in 1,560 blocks ==1616== suppressed: 0 bytes in 0 blocks ==1616== Rerun with --leak-check=full to see details of leaked memory ==1616== ==1616== For counts of detected and suppressed errors, rerun with: -v ==1616== Use --track-origins=yes to see where uninitialised values come from ==1616== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11604 from 648) ================================================================================ 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.