!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_VailheFarkas_1997_CoAl__MO_284963179498_005 Supported species : Al Co 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 = 187.4619156148982 Forces: 1 -7.94269241e+00 -1.83468112e+01 -1.92410299e+01 2 -1.35828419e+01 1.64573134e+01 -1.48382759e+01 3 9.24612465e+00 -1.97551696e+01 -1.02771106e+01 4 -1.15563077e+01 1.17367345e+01 9.04980666e+00 5 7.41521188e+00 -3.00943900e+01 -9.12932592e+00 6 1.34055115e+01 4.75951838e+00 -1.54370793e+01 7 1.47717910e+01 -5.18775245e+01 -4.70709825e+01 8 -2.47464463e+01 -2.05142168e+01 1.13197088e+01 9 -1.53980390e+01 -1.65220836e+01 -2.95394304e+01 10 -8.98448905e+00 3.18123156e+01 -3.56025984e+01 11 8.73339342e-01 -2.58427434e+01 8.91569504e-01 12 -2.05878716e+01 3.46281767e+01 4.39926011e-01 13 -1.73810105e+01 -1.76245078e+01 -7.62663247e+01 14 1.51421172e+01 1.98837234e+01 -1.30032317e+01 15 6.47598457e+01 -1.44219775e+01 1.92102977e+01 16 1.06735351e+01 5.27364834e+01 2.58898765e+01 17 -2.96340928e+01 -1.51285548e+01 -9.19078355e+00 18 8.89382499e+00 2.28667646e+01 -4.68158492e-01 19 1.53851346e+01 -2.16527919e+01 1.87005966e+01 20 -1.22446529e+01 1.64855782e+01 1.52945103e+01 21 -2.61719205e+01 -1.54838149e+01 1.57111698e+01 22 3.28295342e+01 4.54803700e+01 3.96300916e+01 23 7.55551531e+00 -2.58804606e+00 1.22703502e+01 24 1.10164099e+01 -1.03672048e+01 1.05334358e+01 25 -2.48224835e+01 -1.56923061e+01 2.99843687e+01 26 -1.29621995e+01 3.49657165e+01 -1.87536840e+01 27 1.36886535e+01 -5.39328750e+01 1.71532691e+01 28 -5.17990224e+01 4.33327689e+01 8.02312778e+00 29 -1.38629855e+01 -2.59888274e+01 5.83709548e+00 30 1.67233335e+01 2.79157033e+01 7.21910377e+00 31 3.18332461e+01 -1.69492007e+01 2.21833906e+01 32 1.74639270e+01 2.97218791e+01 2.94763205e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 187.4619156148982 Forces: 1 -7.94269241e+00 -1.83468112e+01 -1.92410299e+01 2 -1.35828419e+01 1.64573134e+01 -1.48382759e+01 3 9.24612465e+00 -1.97551696e+01 -1.02771106e+01 4 -1.15563077e+01 1.17367345e+01 9.04980666e+00 5 7.41521188e+00 -3.00943900e+01 -9.12932592e+00 6 1.34055115e+01 4.75951838e+00 -1.54370793e+01 7 1.47717910e+01 -5.18775245e+01 -4.70709825e+01 8 -2.47464463e+01 -2.05142168e+01 1.13197088e+01 9 -1.53980390e+01 -1.65220836e+01 -2.95394304e+01 10 -8.98448905e+00 3.18123156e+01 -3.56025984e+01 11 8.73339342e-01 -2.58427434e+01 8.91569504e-01 12 -2.05878716e+01 3.46281767e+01 4.39926011e-01 13 -1.73810105e+01 -1.76245078e+01 -7.62663247e+01 14 1.51421172e+01 1.98837234e+01 -1.30032317e+01 15 6.47598457e+01 -1.44219775e+01 1.92102977e+01 16 1.06735351e+01 5.27364834e+01 2.58898765e+01 17 -2.96340928e+01 -1.51285548e+01 -9.19078355e+00 18 8.89382499e+00 2.28667646e+01 -4.68158492e-01 19 1.53851346e+01 -2.16527919e+01 1.87005966e+01 20 -1.22446529e+01 1.64855782e+01 1.52945103e+01 21 -2.61719205e+01 -1.54838149e+01 1.57111698e+01 22 3.28295342e+01 4.54803700e+01 3.96300916e+01 23 7.55551531e+00 -2.58804606e+00 1.22703502e+01 24 1.10164099e+01 -1.03672048e+01 1.05334358e+01 25 -2.48224835e+01 -1.56923061e+01 2.99843687e+01 26 -1.29621995e+01 3.49657165e+01 -1.87536840e+01 27 1.36886535e+01 -5.39328750e+01 1.71532691e+01 28 -5.17990224e+01 4.33327689e+01 8.02312778e+00 29 -1.38629855e+01 -2.59888274e+01 5.83709548e+00 30 1.67233335e+01 2.79157033e+01 7.21910377e+00 31 3.18332461e+01 -1.69492007e+01 2.21833906e+01 32 1.74639270e+01 2.97218791e+01 2.94763205e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -78.59657284854383 Forces: 1 -2.29111535e+00 -2.07656124e+00 -2.12400594e+00 2 2.38257588e-01 -1.20942075e+00 -8.53578064e+00 3 3.14971402e+00 -5.54670394e+00 -3.67881792e-01 4 -6.37924211e+00 2.31555050e+00 4.34383551e+00 5 -1.54882514e+00 -3.30110047e+00 -2.83464796e+00 6 4.90082206e+00 -5.43663252e-01 -5.25291575e+00 7 6.61059905e+00 -3.41942657e+00 -2.31417008e+00 8 -1.03728893e+00 -5.18656595e-01 6.32035594e+00 9 -3.97019633e+00 1.46443152e+00 -2.89930900e+00 10 -2.09138946e+00 5.35248296e+00 -6.59410301e+00 11 -2.07340927e+00 -5.29595181e+00 4.44838593e-01 12 -2.78019627e+00 2.07256529e+00 5.62593702e-01 13 2.93088330e+00 1.57784927e-01 -5.46854944e+00 14 2.10584427e+00 7.54433705e-01 -4.43882538e-01 15 6.36820809e+00 5.01574977e+00 -6.67481428e+00 16 5.78554156e+00 5.98108402e+00 -1.24495932e+00 17 -3.84441560e+00 -1.43469257e+00 1.53008959e+00 18 2.98642050e+00 -7.82674171e-01 -4.24684302e+00 19 3.21362562e+00 -6.38305294e+00 1.30865551e+00 20 -4.89329463e+00 3.13575944e+00 3.83895486e+00 21 -3.99537586e+00 -1.96603026e+00 3.92428413e+00 22 4.45615028e+00 -7.72142210e+00 6.05899971e+00 23 1.71318969e+00 -1.49745037e+00 -5.60365852e-01 24 -4.16314667e+00 -3.27252382e+00 2.31932654e+00 25 -4.60600013e+00 -3.09328702e+00 -2.30258063e+00 26 -2.38489245e+00 7.08780328e+00 3.06448254e+00 27 -3.14935757e+00 -3.95892912e+00 4.37093489e+00 28 -1.00654318e+00 3.35011007e+00 4.08914228e+00 29 -5.01901378e+00 1.53953684e+00 1.97408086e+00 30 1.61617055e+00 4.09199367e+00 2.11886573e+00 31 4.88677596e+00 4.42916247e+00 3.67992969e+00 32 4.27150021e+00 5.27309852e+00 1.91543916e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -78.59657284854383 Forces: 1 -2.29111535e+00 -2.07656124e+00 -2.12400594e+00 2 2.38257588e-01 -1.20942075e+00 -8.53578064e+00 3 3.14971402e+00 -5.54670394e+00 -3.67881792e-01 4 -6.37924211e+00 2.31555050e+00 4.34383551e+00 5 -1.54882514e+00 -3.30110047e+00 -2.83464796e+00 6 4.90082206e+00 -5.43663252e-01 -5.25291575e+00 7 6.61059905e+00 -3.41942657e+00 -2.31417008e+00 8 -1.03728893e+00 -5.18656595e-01 6.32035594e+00 9 -3.97019633e+00 1.46443152e+00 -2.89930900e+00 10 -2.09138946e+00 5.35248296e+00 -6.59410301e+00 11 -2.07340927e+00 -5.29595181e+00 4.44838593e-01 12 -2.78019627e+00 2.07256529e+00 5.62593702e-01 13 2.93088330e+00 1.57784927e-01 -5.46854944e+00 14 2.10584427e+00 7.54433705e-01 -4.43882538e-01 15 6.36820809e+00 5.01574977e+00 -6.67481428e+00 16 5.78554156e+00 5.98108402e+00 -1.24495932e+00 17 -3.84441560e+00 -1.43469257e+00 1.53008959e+00 18 2.98642050e+00 -7.82674171e-01 -4.24684302e+00 19 3.21362562e+00 -6.38305294e+00 1.30865551e+00 20 -4.89329463e+00 3.13575944e+00 3.83895486e+00 21 -3.99537586e+00 -1.96603026e+00 3.92428413e+00 22 4.45615028e+00 -7.72142210e+00 6.05899971e+00 23 1.71318969e+00 -1.49745037e+00 -5.60365852e-01 24 -4.16314667e+00 -3.27252382e+00 2.31932654e+00 25 -4.60600013e+00 -3.09328702e+00 -2.30258063e+00 26 -2.38489245e+00 7.08780328e+00 3.06448254e+00 27 -3.14935757e+00 -3.95892912e+00 4.37093489e+00 28 -1.00654318e+00 3.35011007e+00 4.08914228e+00 29 -5.01901378e+00 1.53953684e+00 1.97408086e+00 30 1.61617055e+00 4.09199367e+00 2.11886573e+00 31 4.88677596e+00 4.42916247e+00 3.67992969e+00 32 4.27150021e+00 5.27309852e+00 1.91543916e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Co (Configuration in file "config-F-AlCo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 24.978839564743332 Forces: 1 -1.29854816e+01 -3.31898299e+01 -4.97346189e+01 2 3.97701325e+00 6.20230310e+00 -7.76676629e+00 3 4.76963971e+00 -2.64627149e+01 2.25373493e+00 4 -2.20404608e+01 3.23035692e+01 3.57395331e+01 5 1.92832466e-01 -4.26736110e+00 -4.58361381e+00 6 3.38530958e+00 3.04635105e+00 -4.28845707e+00 7 3.81302852e+00 -2.48460284e+00 2.47735239e+00 8 1.38843854e+01 2.40885077e+01 -1.66201077e+01 9 -7.50926809e+00 -5.83100318e+00 -1.19274272e+01 10 8.79681237e-01 7.13671088e+00 -8.52312382e+00 11 -2.91778067e+00 -5.92782560e+00 2.87172947e+00 12 -6.77228343e+00 2.47732390e+01 -9.94259778e+00 13 1.29521165e+00 -4.31930594e+00 -7.34983404e+00 14 2.58012654e+00 2.38633741e+00 -7.64212725e-01 15 4.87728184e+00 8.81132449e-02 4.04253184e-01 16 5.73451128e+00 7.85966668e+00 -2.61573619e+00 17 -4.50648552e+00 -6.19248310e+00 -2.43009013e+00 18 1.39974139e+01 -4.37035268e+00 -1.39540166e+01 19 4.98336540e+00 -4.25908779e+00 4.71516176e+00 20 -3.12765129e+01 -1.12541555e+01 2.73846400e+01 21 4.73491197e+00 -2.75026362e+01 1.24931458e+01 22 1.11316072e+01 -4.54409806e+00 -1.16536340e+01 23 1.01336558e+00 -2.64355614e+00 1.71441434e+00 24 -3.78821633e+00 -4.89113952e+00 1.10823688e+01 25 -3.12988784e+01 -1.33741077e+01 1.68872149e-01 26 1.27112609e+01 3.48274038e+01 -1.04235663e+01 27 1.28350932e+01 -9.76460096e+00 4.27178756e+01 28 -7.46122293e-01 1.13580996e+00 1.11488267e+00 29 1.48292488e+00 2.90361227e+00 -5.36882609e+00 30 2.90816073e+00 8.49941569e+00 -4.70794944e+00 31 1.03620862e+01 1.06707370e+01 2.16254209e+01 32 2.29227850e+00 5.35708405e+00 5.89119290e+00 MIXED STRUCTURE (pbc=True)-- Species = Al Co (Configuration in file "config-T-AlCo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.683773646226346 Forces: 1 -6.45638499e+00 -2.70213072e+01 -4.09963795e+01 2 4.21848318e-01 5.82431961e+00 -5.71457893e-01 3 -5.64534342e+00 -4.73648749e+00 5.85161793e-01 4 -1.49948169e+01 2.90731537e+01 3.31962106e+01 5 -4.52363820e+00 -1.94701942e+00 -4.14880896e+00 6 2.46289753e+00 5.33329248e+00 -3.56047915e+00 7 3.77896441e-01 -2.26833413e+00 4.63668652e+00 8 1.25425718e+01 2.25542488e+01 -1.49394478e+01 9 3.48202824e+00 -3.62713714e+00 3.86500389e+00 10 1.38975676e+00 6.20187170e+00 -3.75463857e+00 11 -4.75481920e+00 -5.52217130e+00 4.25656890e+00 12 -3.46777726e+00 1.59453563e+01 -9.08131490e+00 13 2.01728250e-01 -3.76640870e+00 -5.63010888e+00 14 3.06536938e+00 -2.48415463e+00 -9.61113598e-01 15 2.97570403e+00 3.36532579e-01 1.98039699e+00 16 1.24261712e+01 -1.60631244e+01 -3.37387588e+00 17 -5.65097465e-01 -3.46382616e+00 -2.82056652e+00 18 1.13031283e+01 -3.53553423e+00 -1.31807245e+01 19 5.80853522e+00 -2.32290642e+00 1.15486421e+00 20 -1.64263878e+01 -1.23755273e+01 1.82988074e+01 21 4.50052009e+00 -1.59945433e+01 1.43573007e+01 22 3.29231608e+00 -2.85341594e+00 -1.19791261e+01 23 -2.88671546e+00 -2.26083068e+00 -2.81009868e+00 24 -2.32034282e+00 -4.84152781e+00 8.35885779e+00 25 -8.04149776e+00 -1.88515693e+01 -6.31772661e+00 26 9.63194535e+00 3.06357004e+01 -9.62928630e+00 27 1.32379073e+01 -1.05527041e+01 3.49192907e+01 28 -8.54238287e-01 -1.66469944e+00 -2.07702405e+00 29 6.12073962e-01 3.07268938e+00 -5.24771321e+00 30 -1.12112492e+01 1.22774161e+01 -1.14883742e+00 31 -9.50054177e+00 1.12664900e+01 1.32169693e+01 32 3.91645237e+00 3.63215806e+00 3.40260996e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==91067== Memcheck, a memory error detector ==91067== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==91067== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==91067== Command: python runner2.py EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 ==91067== ==91067== Conditional jump or move depends on uninitialised value(s) ==91067== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==91067== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==91067== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91067== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91067== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91067== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91067== by 0x551B80: ??? (in /usr/bin/python3.6) ==91067== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91067== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91067== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91067== by 0x509D47: ??? (in /usr/bin/python3.6) ==91067== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91067== ==91067== Conditional jump or move depends on uninitialised value(s) ==91067== at 0x4E63408: internal_utf8_loop (loop.c:298) ==91067== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==91067== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91067== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91067== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91067== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91067== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91067== by 0x551B80: ??? (in /usr/bin/python3.6) ==91067== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91067== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91067== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91067== by 0x509D47: ??? (in /usr/bin/python3.6) ==91067== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91067== ==91067== Conditional jump or move depends on uninitialised value(s) ==91067== at 0x4E63411: internal_utf8_loop (loop.c:303) ==91067== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==91067== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91067== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91067== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91067== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91067== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91067== by 0x551B80: ??? (in /usr/bin/python3.6) ==91067== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91067== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91067== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91067== by 0x509D47: ??? (in /usr/bin/python3.6) ==91067== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91067== ==91067== Conditional jump or move depends on uninitialised value(s) ==91067== at 0x4E63458: internal_utf8_loop (loop.c:298) ==91067== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==91067== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91067== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91067== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91067== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91067== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91067== by 0x551B80: ??? (in /usr/bin/python3.6) ==91067== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91067== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91067== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91067== by 0x509D47: ??? (in /usr/bin/python3.6) ==91067== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91067== ==91067== Conditional jump or move depends on uninitialised value(s) ==91067== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==91067== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==91067== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91067== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91067== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==91067== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==91067== by 0x4F8388: ??? (in /usr/bin/python3.6) ==91067== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==91067== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==91067== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==91067== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==91067== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91067== ==91067== ==91067== HEAP SUMMARY: ==91067== in use at exit: 2,764,995 bytes in 1,647 blocks ==91067== total heap usage: 55,161 allocs, 53,514 frees, 97,069,879 bytes allocated ==91067== ==91067== LEAK SUMMARY: ==91067== definitely lost: 0 bytes in 0 blocks ==91067== indirectly lost: 0 bytes in 0 blocks ==91067== possibly lost: 146,155 bytes in 87 blocks ==91067== still reachable: 2,618,840 bytes in 1,560 blocks ==91067== suppressed: 0 bytes in 0 blocks ==91067== Rerun with --leak-check=full to see details of leaked memory ==91067== ==91067== For counts of detected and suppressed errors, rerun with: -v ==91067== Use --track-origins=yes to see where uninitialised values come from ==91067== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12400 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.