!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 Supported species : Ag Cu 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 = 195.30822155168187 Forces: 1 -7.72174222e+00 -1.67216810e+01 -1.43947267e+01 2 -5.59014268e+00 7.23724229e+00 -1.60199933e+01 3 5.51173130e+00 -1.56913911e+01 -2.85696781e+00 4 -1.46711888e+01 8.10855696e+00 6.85938596e+00 5 2.02289700e+00 -2.15819623e+01 -9.49821528e+00 6 1.28915238e+01 2.57425947e+00 -1.51896482e+01 7 1.30103478e+01 -2.58537092e+01 -1.40884739e+01 8 -1.09954124e+01 -1.07617967e+01 4.58639407e+00 9 -1.06593494e+01 -1.47908050e+01 -2.38453263e+01 10 1.27899021e+01 2.21251289e+01 -1.80382749e+01 11 1.80839984e+00 -1.33477444e+01 -9.36558561e+00 12 -2.42026856e+01 2.14185199e+01 1.05598923e+01 13 -8.98405977e+00 -5.48383734e+00 -4.02714425e+01 14 1.22771927e+01 1.50460211e+01 -1.26466570e+01 15 3.70568133e+01 -8.06706907e+00 5.13744701e+00 16 -1.40644053e+00 3.62932543e+01 2.98611435e+00 17 -2.37455716e+01 -1.47715531e+01 -5.48472712e+00 18 8.79221068e+00 1.03652431e+01 -1.85667993e+00 19 8.67568493e+00 -1.76878275e+01 1.51892361e+01 20 -1.29392843e+01 9.76914867e+00 1.52265307e+01 21 -1.19564704e+01 -1.50770600e+01 6.92384565e+00 22 2.23365767e+01 1.72218050e+01 1.24692233e+01 23 7.45910203e+00 -4.29809436e+00 1.26062924e+01 24 1.43070875e+00 -4.49416691e+00 1.14673643e+01 25 -2.96069252e+01 -1.92421514e+00 1.38808373e+01 26 -6.23809439e+00 2.92320700e+01 -5.88376647e+00 27 4.45562196e-01 -2.21159941e+01 1.65314391e+01 28 -2.35898570e+01 1.76347828e+01 7.67520784e+00 29 4.21105803e-01 -1.44321625e+01 8.08816132e+00 30 1.56264268e+01 1.76432971e+01 3.25283236e+00 31 2.08593811e+01 -7.09320951e+00 1.53966533e+01 32 8.89165745e+00 1.95249498e+01 2.06036276e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 195.30822155168187 Forces: 1 -7.72174222e+00 -1.67216810e+01 -1.43947267e+01 2 -5.59014268e+00 7.23724229e+00 -1.60199933e+01 3 5.51173130e+00 -1.56913911e+01 -2.85696781e+00 4 -1.46711888e+01 8.10855696e+00 6.85938596e+00 5 2.02289700e+00 -2.15819623e+01 -9.49821528e+00 6 1.28915238e+01 2.57425947e+00 -1.51896482e+01 7 1.30103478e+01 -2.58537092e+01 -1.40884739e+01 8 -1.09954124e+01 -1.07617967e+01 4.58639407e+00 9 -1.06593494e+01 -1.47908050e+01 -2.38453263e+01 10 1.27899021e+01 2.21251289e+01 -1.80382749e+01 11 1.80839984e+00 -1.33477444e+01 -9.36558561e+00 12 -2.42026856e+01 2.14185199e+01 1.05598923e+01 13 -8.98405977e+00 -5.48383734e+00 -4.02714425e+01 14 1.22771927e+01 1.50460211e+01 -1.26466570e+01 15 3.70568133e+01 -8.06706907e+00 5.13744701e+00 16 -1.40644053e+00 3.62932543e+01 2.98611435e+00 17 -2.37455716e+01 -1.47715531e+01 -5.48472712e+00 18 8.79221068e+00 1.03652431e+01 -1.85667993e+00 19 8.67568493e+00 -1.76878275e+01 1.51892361e+01 20 -1.29392843e+01 9.76914867e+00 1.52265307e+01 21 -1.19564704e+01 -1.50770600e+01 6.92384565e+00 22 2.23365767e+01 1.72218050e+01 1.24692233e+01 23 7.45910203e+00 -4.29809436e+00 1.26062924e+01 24 1.43070875e+00 -4.49416691e+00 1.14673643e+01 25 -2.96069252e+01 -1.92421514e+00 1.38808373e+01 26 -6.23809439e+00 2.92320700e+01 -5.88376647e+00 27 4.45562196e-01 -2.21159941e+01 1.65314391e+01 28 -2.35898570e+01 1.76347828e+01 7.67520784e+00 29 4.21105803e-01 -1.44321625e+01 8.08816132e+00 30 1.56264268e+01 1.76432971e+01 3.25283236e+00 31 2.08593811e+01 -7.09320951e+00 1.53966533e+01 32 8.89165745e+00 1.95249498e+01 2.06036276e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11.030679136946283 Forces: 1 -5.80570596e+00 -7.54623261e+00 -7.44110838e+00 2 1.32655746e+01 -6.29872263e+00 -8.57718874e+00 3 1.13996595e+01 -2.37616563e+01 -9.36702603e+00 4 -1.75593489e+01 9.11994690e+00 -9.66579595e+00 5 -2.37146096e+01 -8.45868002e+00 -2.16429338e+01 6 6.66064921e+00 8.16557467e+00 -5.62767889e+00 7 2.49194920e+01 -7.43681476e+00 2.16256657e+01 8 1.45854342e+01 2.16164331e+01 -3.56360321e+01 9 -1.91982613e+01 4.98030038e+00 -9.61281928e+00 10 5.30246950e+00 8.17378383e+00 -7.43113460e+00 11 1.74986915e+01 1.06936962e+01 -3.25900250e+00 12 -4.79176617e+00 2.95040504e+00 3.81934053e+00 13 -1.76732739e+01 -1.75257442e+01 -5.90345564e+00 14 1.96804502e+01 1.59236829e+01 -5.24955636e+00 15 1.67892931e+01 -1.05626086e+01 -5.00304759e+00 16 -1.45352843e+01 1.88282548e+01 4.00906558e+00 17 -1.35668983e+01 -1.29976609e+01 9.52831484e+00 18 -1.60190304e+01 6.78525542e+00 2.45387357e+01 19 1.41040459e+01 -1.64932197e+01 4.57003211e+00 20 -1.27220015e+01 1.89810565e+01 4.28898775e+00 21 9.65437510e+00 -3.19222308e+01 2.73098318e+01 22 1.66928939e+01 -9.37913036e+00 -2.13764236e+00 23 1.83956505e+00 -6.11093014e+00 3.64479864e+00 24 -6.10349975e+00 -1.18436832e+01 1.81615985e+01 25 -1.76602561e+01 1.02782764e+01 1.25357785e+01 26 1.15080833e+00 6.43059421e+00 -4.64907035e+00 27 3.59310960e+00 -6.84480477e+00 8.72283441e+00 28 -7.72988560e+00 4.26621430e+00 1.46073933e+00 29 -1.01857525e+01 1.78487403e+01 -1.38111013e+01 30 3.06959858e+00 4.40384049e+00 -2.15278867e+00 31 2.06907627e+01 -8.60276423e+00 9.21442656e+00 32 -1.36312988e+01 1.63388277e+01 3.73723267e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11.030679136946283 Forces: 1 -5.80570596e+00 -7.54623261e+00 -7.44110838e+00 2 1.32655746e+01 -6.29872263e+00 -8.57718874e+00 3 1.13996595e+01 -2.37616563e+01 -9.36702603e+00 4 -1.75593489e+01 9.11994690e+00 -9.66579595e+00 5 -2.37146096e+01 -8.45868002e+00 -2.16429338e+01 6 6.66064921e+00 8.16557467e+00 -5.62767889e+00 7 2.49194920e+01 -7.43681476e+00 2.16256657e+01 8 1.45854342e+01 2.16164331e+01 -3.56360321e+01 9 -1.91982613e+01 4.98030038e+00 -9.61281928e+00 10 5.30246950e+00 8.17378383e+00 -7.43113460e+00 11 1.74986915e+01 1.06936962e+01 -3.25900250e+00 12 -4.79176617e+00 2.95040504e+00 3.81934053e+00 13 -1.76732739e+01 -1.75257442e+01 -5.90345564e+00 14 1.96804502e+01 1.59236829e+01 -5.24955636e+00 15 1.67892931e+01 -1.05626086e+01 -5.00304759e+00 16 -1.45352843e+01 1.88282548e+01 4.00906558e+00 17 -1.35668983e+01 -1.29976609e+01 9.52831484e+00 18 -1.60190304e+01 6.78525542e+00 2.45387357e+01 19 1.41040459e+01 -1.64932197e+01 4.57003211e+00 20 -1.27220015e+01 1.89810565e+01 4.28898775e+00 21 9.65437510e+00 -3.19222308e+01 2.73098318e+01 22 1.66928939e+01 -9.37913036e+00 -2.13764236e+00 23 1.83956505e+00 -6.11093014e+00 3.64479864e+00 24 -6.10349975e+00 -1.18436832e+01 1.81615985e+01 25 -1.76602561e+01 1.02782764e+01 1.25357785e+01 26 1.15080833e+00 6.43059421e+00 -4.64907035e+00 27 3.59310960e+00 -6.84480477e+00 8.72283441e+00 28 -7.72988560e+00 4.26621430e+00 1.46073933e+00 29 -1.01857525e+01 1.78487403e+01 -1.38111013e+01 30 3.06959858e+00 4.40384049e+00 -2.15278867e+00 31 2.06907627e+01 -8.60276423e+00 9.21442656e+00 32 -1.36312988e+01 1.63388277e+01 3.73723267e+00 MIXED STRUCTURE (pbc=False)-- Species = Ag Cu (Configuration in file "config-F-AgCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 150.7138905991861 Forces: 1 -7.05167132e+00 -9.67208824e+00 -1.57896830e+01 2 -9.14598535e+00 -9.12339552e+00 -3.04393497e+01 3 2.05261348e+01 -4.40474108e+01 -1.66632681e+01 4 -4.79884636e+01 3.15793896e+01 -9.88992094e+00 5 4.20660905e+00 -1.56008289e+01 -1.51012368e+01 6 1.52078925e+01 1.92413598e+00 -1.26789534e+01 7 9.01757619e+00 -1.20690337e+01 8.32819500e-01 8 3.22781616e+01 -1.04847015e+01 -8.93946067e+00 9 -2.06163479e+01 1.83410030e+00 -1.30416735e+01 10 5.30200867e+00 8.38165977e+00 -1.14629247e+01 11 -1.28978126e+01 1.89846253e+01 -1.11614734e+01 12 -1.33728036e+01 9.01763422e+00 5.84097437e+00 13 7.76724678e+00 1.63642557e+01 -2.25334040e+01 14 1.76426899e+01 9.28606524e+00 -1.74924867e+01 15 1.79167573e+01 -1.81952706e+01 -1.52669144e+01 16 -1.03728766e+01 1.83865131e+01 6.30418118e+00 17 -3.98397453e+01 -2.89369635e+01 2.54489140e+01 18 -1.13421302e+01 2.38542800e+01 3.59757244e+01 19 1.16856601e-01 -1.81874530e+01 2.69765152e+01 20 -1.86877037e+01 -1.36650541e+01 1.46696065e+01 21 1.65832340e+01 -4.28879495e+01 -1.59242401e+01 22 2.52395660e+01 1.40586019e+01 -1.79243273e+01 23 1.55279834e+01 -2.19870244e+01 1.47205468e+01 24 -1.15276765e+01 1.70341110e+01 3.68557583e+01 25 -1.61683500e+01 6.88532300e+00 -1.16161995e+01 26 -9.88566844e+00 2.20711777e+01 6.91559426e+00 27 1.54729776e+01 5.70564783e+00 9.87953969e+00 28 -8.05488672e+00 9.85318986e+00 8.93430820e+00 29 1.42561725e+01 -2.05687109e+00 2.10253145e+01 30 9.75691827e+00 2.88244255e+01 8.75765904e+00 31 3.71007497e+00 -3.26534970e+00 1.43719939e+01 32 6.42326179e+00 6.13425870e+00 8.41606629e+00 MIXED STRUCTURE (pbc=True)-- Species = Ag Cu (Configuration in file "config-T-AgCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 228.8926644196801 Forces: 1 -9.29157551e+00 -8.69046036e-01 -1.42853079e+01 2 -7.34781778e+00 -1.63492496e+01 -1.37889739e+01 3 2.98589285e+01 -2.34752512e+01 -1.26393840e+01 4 -3.66172085e+01 3.59777589e+01 -9.85166049e+00 5 8.58024551e+00 4.51051975e+00 -6.29248906e+00 6 8.79397174e+00 4.04710531e+00 -2.02414828e+00 7 -5.77707563e+00 4.21163536e+00 1.86051632e+00 8 3.21820540e+01 -1.03229890e+01 -8.82224475e+00 9 -1.30357859e+01 3.10984989e+00 -4.34751542e+00 10 2.87323102e+00 -1.42284957e+01 -2.74298876e+00 11 -1.28706219e+01 1.89552185e+01 -1.11685068e+01 12 -6.70473499e+00 -1.90544420e+01 -2.64450425e+00 13 1.84562916e+01 1.53416917e+01 -5.17847095e+00 14 1.45708907e+01 -5.44327843e-03 -1.88377193e+01 15 6.25135343e+00 -2.08588901e+01 -1.05474896e+01 16 -9.00436312e+00 2.10760054e+00 7.33156409e+00 17 -2.68388855e+01 -1.61676026e+01 3.45535924e+01 18 -1.13355218e+01 2.37159607e+01 3.59035834e+01 19 -4.46580188e+00 6.66151654e+00 1.34574706e+01 20 -1.25445817e+01 -1.19295838e+01 6.09500669e+00 21 1.60425672e+01 -3.65563553e+01 -1.30505153e+01 22 1.52069096e+01 1.36372009e+01 -1.74454003e+01 23 8.85169390e+00 -2.17197886e+01 1.07203252e+01 24 -1.25596475e+01 1.72782392e+01 2.37535953e+01 25 -3.60666045e+00 4.75376251e+00 -1.35460892e+01 26 -9.73638195e+00 1.44714694e+01 4.43637550e+00 27 8.48449297e+00 1.04422691e+01 -1.75502235e+01 28 -8.06233370e+00 6.48100401e+00 1.72158941e+00 29 1.42851221e+01 -2.01205279e+00 2.07586219e+01 30 -3.51785239e+00 1.84600242e+01 1.47400882e+01 31 -7.20524008e+00 -2.57377071e+00 1.23584345e+01 32 1.60843381e+01 -8.03986578e+00 -2.92713162e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==91266== Memcheck, a memory error detector ==91266== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==91266== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==91266== Command: python runner2.py EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 ==91266== ==91266== Conditional jump or move depends on uninitialised value(s) ==91266== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==91266== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==91266== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91266== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91266== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91266== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91266== by 0x551B80: ??? (in /usr/bin/python3.6) ==91266== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91266== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91266== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91266== by 0x509D47: ??? (in /usr/bin/python3.6) ==91266== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91266== ==91266== Conditional jump or move depends on uninitialised value(s) ==91266== at 0x4E63408: internal_utf8_loop (loop.c:298) ==91266== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==91266== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91266== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91266== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91266== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91266== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91266== by 0x551B80: ??? (in /usr/bin/python3.6) ==91266== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91266== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91266== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91266== by 0x509D47: ??? (in /usr/bin/python3.6) ==91266== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91266== ==91266== Conditional jump or move depends on uninitialised value(s) ==91266== at 0x4E63411: internal_utf8_loop (loop.c:303) ==91266== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==91266== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91266== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91266== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91266== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91266== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91266== by 0x551B80: ??? (in /usr/bin/python3.6) ==91266== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91266== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91266== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91266== by 0x509D47: ??? (in /usr/bin/python3.6) ==91266== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91266== ==91266== Conditional jump or move depends on uninitialised value(s) ==91266== at 0x4E63458: internal_utf8_loop (loop.c:298) ==91266== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==91266== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91266== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91266== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91266== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91266== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91266== by 0x551B80: ??? (in /usr/bin/python3.6) ==91266== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91266== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91266== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91266== by 0x509D47: ??? (in /usr/bin/python3.6) ==91266== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91266== ==91266== Conditional jump or move depends on uninitialised value(s) ==91266== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==91266== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==91266== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91266== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91266== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==91266== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==91266== by 0x4F8388: ??? (in /usr/bin/python3.6) ==91266== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==91266== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==91266== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==91266== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==91266== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91266== ==91266== ==91266== HEAP SUMMARY: ==91266== in use at exit: 2,764,995 bytes in 1,647 blocks ==91266== total heap usage: 55,161 allocs, 53,514 frees, 162,042,328 bytes allocated ==91266== ==91266== LEAK SUMMARY: ==91266== definitely lost: 0 bytes in 0 blocks ==91266== indirectly lost: 0 bytes in 0 blocks ==91266== possibly lost: 146,155 bytes in 87 blocks ==91266== still reachable: 2,618,840 bytes in 1,560 blocks ==91266== suppressed: 0 bytes in 0 blocks ==91266== Rerun with --leak-check=full to see details of leaked memory ==91266== ==91266== For counts of detected and suppressed errors, rerun with: -v ==91266== Use --track-origins=yes to see where uninitialised values come from ==91266== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12396 from 663) ================================================================================ 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.