!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Dynamo_FoilesBaskesDaw_1986Universal3_Ag__MO_626948998302_000 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 209.19344306571463 Forces: 1 -8.84793429e+00 -1.56039799e+01 -1.67284967e+01 2 -6.73589753e+00 1.01626328e+01 -1.46232085e+01 3 7.59950895e+00 -2.40893981e+01 -9.93510119e+00 4 -1.59001381e+01 8.32980875e+00 4.74406626e+00 5 -2.24853928e+00 -2.55227146e+01 -8.23173261e+00 6 1.61124523e+01 9.65512030e+00 -1.71762121e+01 7 1.70404509e+01 -3.74832936e+01 -2.28625717e+01 8 -1.74720376e+01 -1.47750003e+01 -5.05338488e+00 9 -1.63743139e+01 -1.21033692e+01 -2.81557669e+01 10 -5.19154224e+00 3.04080762e+01 -3.02999950e+01 11 -3.30193854e+00 -2.05210508e+01 3.28367953e+00 12 -2.01791613e+01 2.92521554e+01 1.55002943e+00 13 -4.72238028e+00 -1.99017675e+01 -5.45471482e+01 14 1.51463503e+01 1.85701264e+01 -1.32445865e+01 15 4.99188336e+01 -1.28812876e+01 4.82708645e+00 16 5.88090818e+00 4.55192881e+01 1.58671430e+01 17 -2.65632747e+01 -1.44430816e+01 -6.30642812e+00 18 5.36476326e+00 1.70027911e+01 9.69460344e+00 19 1.23810808e+01 -1.83445512e+01 1.56410360e+01 20 -1.17024606e+01 1.41093494e+01 1.35404028e+01 21 -1.90114587e+01 -1.80492160e+01 1.28468724e+01 22 3.03914894e+01 2.77754069e+01 2.17964523e+01 23 7.20016698e+00 -3.59809168e+00 1.55197016e+01 24 7.98725160e+00 -9.93032408e+00 1.03743224e+01 25 -2.17073970e+01 -1.14200958e+01 2.09547806e+01 26 -9.56096456e+00 3.22513634e+01 -1.33077414e+01 27 1.07612146e+00 -3.29801789e+01 1.72483328e+01 28 -3.39541532e+01 2.68720602e+01 8.77770888e+00 29 -1.02786088e+01 -1.62163932e+01 1.16180929e+01 30 1.73589091e+01 2.52596403e+01 6.13271140e+00 31 2.69128342e+01 -1.32239709e+01 1.99022472e+01 32 1.33810797e+01 2.59199456e+01 2.61531044e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 209.19344306571463 Forces: 1 -8.84793429e+00 -1.56039799e+01 -1.67284967e+01 2 -6.73589753e+00 1.01626328e+01 -1.46232085e+01 3 7.59950895e+00 -2.40893981e+01 -9.93510119e+00 4 -1.59001381e+01 8.32980875e+00 4.74406626e+00 5 -2.24853928e+00 -2.55227146e+01 -8.23173261e+00 6 1.61124523e+01 9.65512030e+00 -1.71762121e+01 7 1.70404509e+01 -3.74832936e+01 -2.28625717e+01 8 -1.74720376e+01 -1.47750003e+01 -5.05338488e+00 9 -1.63743139e+01 -1.21033692e+01 -2.81557669e+01 10 -5.19154224e+00 3.04080762e+01 -3.02999950e+01 11 -3.30193854e+00 -2.05210508e+01 3.28367953e+00 12 -2.01791613e+01 2.92521554e+01 1.55002943e+00 13 -4.72238028e+00 -1.99017675e+01 -5.45471482e+01 14 1.51463503e+01 1.85701264e+01 -1.32445865e+01 15 4.99188336e+01 -1.28812876e+01 4.82708645e+00 16 5.88090818e+00 4.55192881e+01 1.58671430e+01 17 -2.65632747e+01 -1.44430816e+01 -6.30642812e+00 18 5.36476326e+00 1.70027911e+01 9.69460344e+00 19 1.23810808e+01 -1.83445512e+01 1.56410360e+01 20 -1.17024606e+01 1.41093494e+01 1.35404028e+01 21 -1.90114587e+01 -1.80492160e+01 1.28468724e+01 22 3.03914894e+01 2.77754069e+01 2.17964523e+01 23 7.20016698e+00 -3.59809168e+00 1.55197016e+01 24 7.98725160e+00 -9.93032408e+00 1.03743224e+01 25 -2.17073970e+01 -1.14200958e+01 2.09547806e+01 26 -9.56096456e+00 3.22513634e+01 -1.33077414e+01 27 1.07612146e+00 -3.29801789e+01 1.72483328e+01 28 -3.39541532e+01 2.68720602e+01 8.77770888e+00 29 -1.02786088e+01 -1.62163932e+01 1.16180929e+01 30 1.73589091e+01 2.52596403e+01 6.13271140e+00 31 2.69128342e+01 -1.32239709e+01 1.99022472e+01 32 1.33810797e+01 2.59199456e+01 2.61531044e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==86327== Memcheck, a memory error detector ==86327== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==86327== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==86327== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ag__MO_626948998302_000 ==86327== ==86327== Conditional jump or move depends on uninitialised value(s) ==86327== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==86327== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86327== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86327== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86327== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86327== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86327== by 0x551B80: ??? (in /usr/bin/python3.6) ==86327== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86327== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86327== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86327== by 0x509D47: ??? (in /usr/bin/python3.6) ==86327== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86327== ==86327== Conditional jump or move depends on uninitialised value(s) ==86327== at 0x4E63408: internal_utf8_loop (loop.c:298) ==86327== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==86327== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86327== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86327== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86327== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86327== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86327== by 0x551B80: ??? (in /usr/bin/python3.6) ==86327== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86327== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86327== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86327== by 0x509D47: ??? (in /usr/bin/python3.6) ==86327== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86327== ==86327== Conditional jump or move depends on uninitialised value(s) ==86327== at 0x4E63411: internal_utf8_loop (loop.c:303) ==86327== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==86327== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86327== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86327== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86327== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86327== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86327== by 0x551B80: ??? (in /usr/bin/python3.6) ==86327== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86327== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86327== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86327== by 0x509D47: ??? (in /usr/bin/python3.6) ==86327== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86327== ==86327== Conditional jump or move depends on uninitialised value(s) ==86327== at 0x4E63458: internal_utf8_loop (loop.c:298) ==86327== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==86327== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86327== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86327== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86327== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86327== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86327== by 0x551B80: ??? (in /usr/bin/python3.6) ==86327== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86327== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86327== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86327== by 0x509D47: ??? (in /usr/bin/python3.6) ==86327== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86327== ==86327== Conditional jump or move depends on uninitialised value(s) ==86327== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==86327== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86327== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86327== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86327== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==86327== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==86327== by 0x4F8388: ??? (in /usr/bin/python3.6) ==86327== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==86327== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==86327== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==86327== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==86327== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86327== ==86327== ==86327== HEAP SUMMARY: ==86327== in use at exit: 2,764,995 bytes in 1,647 blocks ==86327== total heap usage: 36,176 allocs, 34,529 frees, 62,518,474 bytes allocated ==86327== ==86327== LEAK SUMMARY: ==86327== definitely lost: 0 bytes in 0 blocks ==86327== indirectly lost: 0 bytes in 0 blocks ==86327== possibly lost: 146,155 bytes in 87 blocks ==86327== still reachable: 2,618,840 bytes in 1,560 blocks ==86327== suppressed: 0 bytes in 0 blocks ==86327== Rerun with --leak-check=full to see details of leaked memory ==86327== ==86327== For counts of detected and suppressed errors, rerun with: -v ==86327== Use --track-origins=yes to see where uninitialised values come from ==86327== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12380 from 658) ================================================================================ 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.