!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2019quadratic_Cu__MO_265210066873_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.6210610080684413 Forces: 1 -3.43607426e+00 -1.06322048e+01 -1.47600558e+01 2 -4.55266800e+00 4.42929789e+00 -1.04795380e+01 3 2.86602859e+00 -1.20413089e+01 -2.32918041e+00 4 -6.90671504e+00 1.17616976e+01 9.84581049e+00 5 2.64834258e+00 -1.19661305e+01 -8.79306255e+00 6 5.26436576e+00 3.84848653e+00 -6.64422669e+00 7 1.01686265e+01 -1.37038046e+01 -1.38150540e+01 8 -1.43177656e+01 -8.54034878e+00 1.16778616e-01 9 -1.14006878e+01 -1.36235206e+01 -1.87407008e+01 10 5.64055064e+00 2.33914145e+01 -1.85223414e+01 11 5.88211391e+00 -1.49488586e+01 1.09625654e+01 12 -1.98313172e+01 1.97005467e+01 7.61140671e+00 13 4.82065508e+00 -1.01771022e+01 -3.23164360e+01 14 3.91561035e+00 5.98089076e+00 -4.84024311e+00 15 2.95421322e+01 -4.14711515e+00 -2.97961680e-01 16 7.75718110e+00 2.72510105e+01 5.18175977e+00 17 -1.02874320e+01 -6.02652782e+00 -1.99965075e+00 18 -5.84623778e+00 1.03479798e+01 5.81227778e+00 19 2.96791660e+00 -9.27690842e+00 6.23101235e+00 20 -3.60736358e+00 6.98367624e+00 6.05327462e+00 21 -9.16198437e+00 -1.19664732e+01 8.36198529e+00 22 2.20597742e+01 1.45263570e+01 1.29876159e+01 23 3.86887750e+00 -1.69139981e+00 6.60709283e+00 24 3.18290836e+00 -5.67979198e-01 4.84455731e+00 25 -1.16995778e+01 -9.38688799e+00 1.24672434e+01 26 -2.87285326e+00 1.55750216e+01 -1.02301204e+01 27 7.52396473e-01 -2.29604419e+01 9.09812607e+00 28 -1.92491150e+01 1.32660212e+01 6.60261842e+00 29 -1.87405025e+01 -1.80175241e+01 8.97548031e+00 30 9.76804082e+00 1.43273186e+01 -4.08463923e+00 31 1.49853262e+01 -1.09112656e+01 9.19900663e+00 32 5.81944716e+00 1.91960834e+01 1.68945991e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.6210610080684413 Forces: 1 -3.43607426e+00 -1.06322048e+01 -1.47600558e+01 2 -4.55266800e+00 4.42929789e+00 -1.04795380e+01 3 2.86602859e+00 -1.20413089e+01 -2.32918041e+00 4 -6.90671504e+00 1.17616976e+01 9.84581049e+00 5 2.64834258e+00 -1.19661305e+01 -8.79306255e+00 6 5.26436576e+00 3.84848653e+00 -6.64422669e+00 7 1.01686265e+01 -1.37038046e+01 -1.38150540e+01 8 -1.43177656e+01 -8.54034878e+00 1.16778616e-01 9 -1.14006878e+01 -1.36235206e+01 -1.87407008e+01 10 5.64055064e+00 2.33914145e+01 -1.85223414e+01 11 5.88211391e+00 -1.49488586e+01 1.09625654e+01 12 -1.98313172e+01 1.97005467e+01 7.61140671e+00 13 4.82065508e+00 -1.01771022e+01 -3.23164360e+01 14 3.91561035e+00 5.98089076e+00 -4.84024311e+00 15 2.95421322e+01 -4.14711515e+00 -2.97961680e-01 16 7.75718110e+00 2.72510105e+01 5.18175977e+00 17 -1.02874320e+01 -6.02652782e+00 -1.99965075e+00 18 -5.84623778e+00 1.03479798e+01 5.81227778e+00 19 2.96791660e+00 -9.27690842e+00 6.23101235e+00 20 -3.60736358e+00 6.98367624e+00 6.05327462e+00 21 -9.16198437e+00 -1.19664732e+01 8.36198529e+00 22 2.20597742e+01 1.45263570e+01 1.29876159e+01 23 3.86887750e+00 -1.69139981e+00 6.60709283e+00 24 3.18290836e+00 -5.67979198e-01 4.84455731e+00 25 -1.16995778e+01 -9.38688799e+00 1.24672434e+01 26 -2.87285326e+00 1.55750216e+01 -1.02301204e+01 27 7.52396473e-01 -2.29604419e+01 9.09812607e+00 28 -1.92491150e+01 1.32660212e+01 6.60261842e+00 29 -1.87405025e+01 -1.80175241e+01 8.97548031e+00 30 9.76804082e+00 1.43273186e+01 -4.08463923e+00 31 1.49853262e+01 -1.09112656e+01 9.19900663e+00 32 5.81944716e+00 1.91960834e+01 1.68945991e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1681== Memcheck, a memory error detector ==1681== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1681== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1681== Command: python runner2.py SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000 ==1681== ==1681== Conditional jump or move depends on uninitialised value(s) ==1681== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==1681== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1681== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1681== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1681== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1681== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1681== by 0x551B80: ??? (in /usr/bin/python3.6) ==1681== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1681== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1681== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1681== by 0x509D47: ??? (in /usr/bin/python3.6) ==1681== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1681== ==1681== Conditional jump or move depends on uninitialised value(s) ==1681== at 0x4E63408: internal_utf8_loop (loop.c:298) ==1681== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==1681== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1681== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1681== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1681== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1681== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1681== by 0x551B80: ??? (in /usr/bin/python3.6) ==1681== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1681== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1681== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1681== by 0x509D47: ??? (in /usr/bin/python3.6) ==1681== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1681== ==1681== Conditional jump or move depends on uninitialised value(s) ==1681== at 0x4E63411: internal_utf8_loop (loop.c:303) ==1681== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==1681== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1681== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1681== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1681== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1681== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1681== by 0x551B80: ??? (in /usr/bin/python3.6) ==1681== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1681== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1681== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1681== by 0x509D47: ??? (in /usr/bin/python3.6) ==1681== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1681== ==1681== Conditional jump or move depends on uninitialised value(s) ==1681== at 0x4E63458: internal_utf8_loop (loop.c:298) ==1681== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==1681== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==1681== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1681== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1681== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==1681== by 0x5BA640: ??? (in /usr/bin/python3.6) ==1681== by 0x551B80: ??? (in /usr/bin/python3.6) ==1681== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1681== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1681== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1681== by 0x509D47: ??? (in /usr/bin/python3.6) ==1681== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1681== ==1681== Conditional jump or move depends on uninitialised value(s) ==1681== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==1681== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==1681== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==1681== by 0x547A3F: ??? (in /usr/bin/python3.6) ==1681== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==1681== by 0x4CAD31: ??? (in /usr/bin/python3.6) ==1681== by 0x551B80: ??? (in /usr/bin/python3.6) ==1681== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==1681== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==1681== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==1681== by 0x509D47: ??? (in /usr/bin/python3.6) ==1681== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==1681== ==1681== ==1681== HEAP SUMMARY: ==1681== in use at exit: 2,764,995 bytes in 1,647 blocks ==1681== total heap usage: 36,376 allocs, 34,729 frees, 61,980,591 bytes allocated ==1681== ==1681== LEAK SUMMARY: ==1681== definitely lost: 0 bytes in 0 blocks ==1681== indirectly lost: 0 bytes in 0 blocks ==1681== possibly lost: 146,155 bytes in 87 blocks ==1681== still reachable: 2,618,840 bytes in 1,560 blocks ==1681== suppressed: 0 bytes in 0 blocks ==1681== Rerun with --leak-check=full to see details of leaked memory ==1681== ==1681== For counts of detected and suppressed errors, rerun with: -v ==1681== Use --track-origins=yes to see where uninitialised values come from ==1681== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11566 from 653) ================================================================================ 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.