!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_PunYamakovMishin_2015_NiCo__MO_010613863288_000 Supported species : Co Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 390.16525533488687 Forces: 1 -6.50233145e+01 -1.90447847e+02 -2.57368362e+02 2 -3.55070304e-02 3.59428680e+01 -3.01002415e+01 3 9.57556389e+01 -1.03150389e+02 6.69210704e+01 4 -6.92611163e+01 2.72365788e+02 1.93337433e+02 5 7.53139395e-01 -3.60499030e+01 -2.30384180e+01 6 7.84069621e+00 7.63661174e+00 -1.63731427e+01 7 -2.20301279e+01 -2.58361452e+02 -2.71491580e+02 8 -8.73822557e+01 -9.67733186e+01 1.38206043e+01 9 -1.52094001e+00 -6.24409740e+00 -4.99533772e+00 10 -5.54190571e+01 2.39556462e+01 -6.54123307e+01 11 -2.01218425e+02 -1.04411073e+02 -1.23697318e+02 12 -3.05025703e+00 1.13454160e+01 -2.58363728e-01 13 -1.35966886e+02 -6.30569394e+01 -2.63517852e+02 14 3.42314662e+01 3.70065214e+01 -1.33637568e+01 15 2.51813226e+02 3.32019767e+01 1.41532500e+02 16 8.53044231e+01 2.41967521e+02 2.02781485e+01 17 -4.13069279e+01 -1.29516938e+02 -1.38993610e+02 18 6.45539797e+01 -3.69968906e+01 8.39154215e+00 19 2.09861804e+01 -2.18242417e+01 1.71584743e+01 20 -1.15193265e+01 1.21408509e+02 1.40096634e+02 21 -1.08112275e+02 -5.21486650e+01 -1.08963703e+01 22 1.46717039e+02 2.62291973e+02 2.16753511e+02 23 5.28660769e+01 -1.08259774e+01 8.70146884e+01 24 -1.06669895e+01 3.11878467e+01 2.17667597e+01 25 -6.75355836e+01 4.24080537e+01 -9.27333537e+00 26 -7.82344597e+01 2.04518204e+02 -8.71589852e+01 27 1.63180073e+02 -3.12031033e+02 6.09629465e+01 28 -2.21733225e+02 1.98291480e+02 6.15398571e+01 29 1.86815676e+02 -1.44702639e+02 2.02677729e+02 30 1.20427710e+01 2.64982444e+01 1.39786831e+01 31 2.87156406e+01 -2.36506297e+01 4.13593759e+00 32 2.84406473e+01 4.01653750e+01 4.55724840e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 390.16525533488687 Forces: 1 -6.50233145e+01 -1.90447847e+02 -2.57368362e+02 2 -3.55070304e-02 3.59428680e+01 -3.01002415e+01 3 9.57556389e+01 -1.03150389e+02 6.69210704e+01 4 -6.92611163e+01 2.72365788e+02 1.93337433e+02 5 7.53139395e-01 -3.60499030e+01 -2.30384180e+01 6 7.84069621e+00 7.63661174e+00 -1.63731427e+01 7 -2.20301279e+01 -2.58361452e+02 -2.71491580e+02 8 -8.73822557e+01 -9.67733186e+01 1.38206043e+01 9 -1.52094001e+00 -6.24409740e+00 -4.99533772e+00 10 -5.54190571e+01 2.39556462e+01 -6.54123307e+01 11 -2.01218425e+02 -1.04411073e+02 -1.23697318e+02 12 -3.05025703e+00 1.13454160e+01 -2.58363728e-01 13 -1.35966886e+02 -6.30569394e+01 -2.63517852e+02 14 3.42314662e+01 3.70065214e+01 -1.33637568e+01 15 2.51813226e+02 3.32019767e+01 1.41532500e+02 16 8.53044231e+01 2.41967521e+02 2.02781485e+01 17 -4.13069279e+01 -1.29516938e+02 -1.38993610e+02 18 6.45539797e+01 -3.69968906e+01 8.39154215e+00 19 2.09861804e+01 -2.18242417e+01 1.71584743e+01 20 -1.15193265e+01 1.21408509e+02 1.40096634e+02 21 -1.08112275e+02 -5.21486650e+01 -1.08963703e+01 22 1.46717039e+02 2.62291973e+02 2.16753511e+02 23 5.28660769e+01 -1.08259774e+01 8.70146884e+01 24 -1.06669895e+01 3.11878467e+01 2.17667597e+01 25 -6.75355836e+01 4.24080537e+01 -9.27333537e+00 26 -7.82344597e+01 2.04518204e+02 -8.71589852e+01 27 1.63180073e+02 -3.12031033e+02 6.09629465e+01 28 -2.21733225e+02 1.98291480e+02 6.15398571e+01 29 1.86815676e+02 -1.44702639e+02 2.02677729e+02 30 1.20427710e+01 2.64982444e+01 1.39786831e+01 31 2.87156406e+01 -2.36506297e+01 4.13593759e+00 32 2.84406473e+01 4.01653750e+01 4.55724840e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -72.74001145672685 Forces: 1 -2.14418174e+00 -1.27157418e+00 -1.54034051e+00 2 -2.11779849e+00 6.20432473e-01 -5.86512771e+00 3 3.18708533e+00 -4.92443316e+00 7.67888507e-01 4 -5.91925852e+00 1.81686993e+00 -2.66469683e+00 5 -1.84499706e-01 -3.32459694e+00 -3.11417869e+00 6 5.05089276e+00 1.19703959e+00 -3.65950295e+00 7 9.09944816e-01 -1.92470338e+00 1.56195420e+00 8 -1.07968672e+00 -6.11076109e+00 1.85568615e+00 9 -3.75842709e+00 -2.61313512e+00 4.53891364e-01 10 3.20747367e+00 3.03191714e+00 -1.26206653e+00 11 -4.05759864e+00 3.68172326e+00 1.62855986e+00 12 -2.65892400e+00 7.93787377e-01 -1.39319422e+00 13 1.43459687e+00 2.66044465e+00 -7.39898439e+00 14 8.02532746e-01 3.10359925e-01 -1.07668065e+00 15 6.71050879e+00 2.73641926e+00 -2.09682861e+00 16 -3.42661910e+00 4.55779523e+00 -2.44119006e+00 17 -2.04450379e+00 -2.90668828e+00 2.64281837e+00 18 3.04057962e+00 -1.08503260e+00 -4.23506123e-01 19 -4.26745191e-01 -3.87265197e+00 2.70116536e+00 20 -3.59824002e+00 -9.45083883e-01 4.02250531e+00 21 -1.38219473e+00 -2.66517803e+00 -2.40838771e+00 22 5.48385115e+00 -3.12456030e+00 1.57666726e+00 23 3.78694167e+00 -2.70777523e+00 1.52800993e+00 24 -1.82100353e+00 1.29910164e+00 3.70329143e+00 25 -4.60325040e+00 3.88352331e+00 -1.54685907e+00 26 2.49687816e+00 2.91017993e+00 -7.19498080e-01 27 1.33522625e+00 -2.93157732e+00 3.26949468e+00 28 -3.28701573e+00 1.72428100e+00 2.44419342e+00 29 -3.46648361e+00 1.05001998e+00 1.77040750e+00 30 3.55323808e+00 3.20459790e+00 2.52380422e+00 31 4.01052784e+00 7.82095944e-01 2.87340041e+00 32 9.66153253e-01 4.14716294e+00 2.28730417e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -72.74001145672685 Forces: 1 -2.14418174e+00 -1.27157418e+00 -1.54034051e+00 2 -2.11779849e+00 6.20432473e-01 -5.86512771e+00 3 3.18708533e+00 -4.92443316e+00 7.67888507e-01 4 -5.91925852e+00 1.81686993e+00 -2.66469683e+00 5 -1.84499706e-01 -3.32459694e+00 -3.11417869e+00 6 5.05089276e+00 1.19703959e+00 -3.65950295e+00 7 9.09944816e-01 -1.92470338e+00 1.56195420e+00 8 -1.07968672e+00 -6.11076109e+00 1.85568615e+00 9 -3.75842709e+00 -2.61313512e+00 4.53891364e-01 10 3.20747367e+00 3.03191714e+00 -1.26206653e+00 11 -4.05759864e+00 3.68172326e+00 1.62855986e+00 12 -2.65892400e+00 7.93787377e-01 -1.39319422e+00 13 1.43459687e+00 2.66044465e+00 -7.39898439e+00 14 8.02532746e-01 3.10359925e-01 -1.07668065e+00 15 6.71050879e+00 2.73641926e+00 -2.09682861e+00 16 -3.42661910e+00 4.55779523e+00 -2.44119006e+00 17 -2.04450379e+00 -2.90668828e+00 2.64281837e+00 18 3.04057962e+00 -1.08503260e+00 -4.23506123e-01 19 -4.26745191e-01 -3.87265197e+00 2.70116536e+00 20 -3.59824002e+00 -9.45083883e-01 4.02250531e+00 21 -1.38219473e+00 -2.66517803e+00 -2.40838771e+00 22 5.48385115e+00 -3.12456030e+00 1.57666726e+00 23 3.78694167e+00 -2.70777523e+00 1.52800993e+00 24 -1.82100353e+00 1.29910164e+00 3.70329143e+00 25 -4.60325040e+00 3.88352331e+00 -1.54685907e+00 26 2.49687816e+00 2.91017993e+00 -7.19498080e-01 27 1.33522625e+00 -2.93157732e+00 3.26949468e+00 28 -3.28701573e+00 1.72428100e+00 2.44419342e+00 29 -3.46648361e+00 1.05001998e+00 1.77040750e+00 30 3.55323808e+00 3.20459790e+00 2.52380422e+00 31 4.01052784e+00 7.82095944e-01 2.87340041e+00 32 9.66153253e-01 4.14716294e+00 2.28730417e+00 MIXED STRUCTURE (pbc=False)-- Species = Co Ni (Configuration in file "config-F-CoNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1827.7034211986772 Forces: 1 -1.08388355e+03 -3.50710578e+02 -1.90091736e+03 2 5.20095509e+01 3.36730885e+01 -7.83469530e+01 3 1.58434604e+03 -8.11747878e+02 1.70533069e+03 4 -8.26897362e+02 1.02592186e+03 3.37868804e+02 5 3.53207217e+02 1.92597944e+01 -2.07653339e+02 6 3.42307819e+01 4.77407338e+01 -9.71206071e+01 7 5.84561361e+02 -6.31353290e+01 -4.55888716e+02 8 1.11691906e+02 -1.95630862e+02 -6.80216961e+02 9 -5.54968995e+02 -3.87311564e+02 -5.22075499e+02 10 6.44386415e+02 6.36899014e+02 -7.03943519e+02 11 6.06113724e+02 -8.12485249e+02 6.84168951e+02 12 -7.51005581e+02 5.71455144e+02 3.97302930e+02 13 -4.08846363e+01 -4.29498010e+01 -1.30283548e+01 14 9.21597221e+01 3.43541401e+02 -3.08988925e+02 15 2.15494274e+01 -3.18901999e+02 2.71473051e+02 16 -7.94580639e+00 5.02172384e+01 8.49498871e+00 17 -7.64894247e+01 -6.38932859e+00 9.21133744e+01 18 5.77216541e+01 8.91259116e+01 -5.62939966e+02 19 3.50063863e+02 -4.78896584e+02 2.79098015e+02 20 -4.55342773e+02 2.17940928e+02 2.53752800e+02 21 -6.71857347e+02 -3.69265147e+02 7.73632481e+02 22 5.83838153e+01 2.22856721e+02 -1.85978537e+02 23 -7.91792030e+00 -2.04743506e+02 2.01643653e+02 24 1.39810077e+02 -6.96196256e+01 6.51567836e+01 25 -5.65040709e+02 -1.90594781e+02 -3.96255109e+02 26 1.90848820e+02 3.45783438e+02 -2.46561730e+02 27 4.79257093e+02 9.84966671e+00 5.53285493e+02 28 -2.32623079e+02 1.43346187e+02 2.61875922e+02 29 -1.20911797e+02 4.85328941e+02 4.32724740e+02 30 3.39986611e+01 1.42551872e+02 -1.32876379e+02 31 -1.30806697e+01 -1.36779138e+02 1.48114503e+02 32 1.45095237e+01 5.36694316e+01 2.67547766e+01 MIXED STRUCTURE (pbc=True)-- Species = Co Ni (Configuration in file "config-T-CoNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1877.7201765954119 Forces: 1 -1.18809204e+03 -2.69630402e+02 -1.79560066e+03 2 5.00659897e+01 3.45618786e+01 -7.40861806e+01 3 1.58253434e+03 -7.62915166e+02 1.72652417e+03 4 -7.43783512e+02 1.02219950e+03 3.97506470e+02 5 3.51673260e+02 3.73247719e+01 -2.20597312e+02 6 -5.61282726e+01 5.29261996e+01 -1.47589718e+02 7 5.94486470e+02 -2.76215069e+00 -4.78477131e+02 8 1.12483507e+02 -1.96056013e+02 -6.81069894e+02 9 -4.86005893e+02 -3.98468865e+02 -5.51490584e+02 10 7.03465552e+02 4.69491084e+02 -7.07594097e+02 11 6.05600288e+02 -8.11982442e+02 6.83843256e+02 12 -7.09129468e+02 5.82506499e+02 4.04095610e+02 13 -4.03899816e+01 -3.99904773e+01 -1.10315558e+01 14 6.06534076e+01 3.60245076e+02 -3.19175111e+02 15 -5.19825170e+01 -3.35234215e+02 3.01705245e+02 16 -2.50064432e+01 -5.66704110e+00 1.33857422e+01 17 -5.92348935e+01 7.85818059e+00 9.05985028e+01 18 5.74628894e+01 8.78121730e+01 -5.61868469e+02 19 4.03119458e+02 -4.59586709e+02 1.74348694e+02 20 -4.29256145e+02 2.51300175e+02 2.34859433e+02 21 -6.70809813e+02 -3.53096908e+02 7.73055524e+02 22 4.96457205e+01 2.22872803e+02 -1.89208416e+02 23 -3.23407854e+01 -2.19495979e+02 1.98948419e+02 24 1.40926336e+02 -7.11807720e+01 5.85573300e+01 25 -5.60726998e+02 -1.89101793e+02 -3.95867903e+02 26 1.90998552e+02 3.45366836e+02 -2.45550666e+02 27 4.78632254e+02 9.97211944e+00 5.53473198e+02 28 -1.89533216e+02 1.61011794e+02 2.65591124e+02 29 -1.20475210e+02 4.84880428e+02 4.32878292e+02 30 2.25750637e+01 9.43480963e+01 -1.05320754e+02 31 -5.45170693e+01 -1.55702659e+02 1.42604677e+02 32 1.30891647e+01 4.61939756e+01 3.25527623e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==90507== Memcheck, a memory error detector ==90507== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==90507== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==90507== Command: python runner2.py EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 ==90507== ==90507== Conditional jump or move depends on uninitialised value(s) ==90507== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==90507== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90507== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90507== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90507== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90507== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90507== by 0x551B80: ??? (in /usr/bin/python3.6) ==90507== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90507== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90507== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90507== by 0x509D47: ??? (in /usr/bin/python3.6) ==90507== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90507== ==90507== Conditional jump or move depends on uninitialised value(s) ==90507== at 0x4E63408: internal_utf8_loop (loop.c:298) ==90507== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==90507== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90507== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90507== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90507== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90507== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90507== by 0x551B80: ??? (in /usr/bin/python3.6) ==90507== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90507== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90507== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90507== by 0x509D47: ??? (in /usr/bin/python3.6) ==90507== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90507== ==90507== Conditional jump or move depends on uninitialised value(s) ==90507== at 0x4E63411: internal_utf8_loop (loop.c:303) ==90507== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==90507== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90507== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90507== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90507== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90507== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90507== by 0x551B80: ??? (in /usr/bin/python3.6) ==90507== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90507== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90507== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90507== by 0x509D47: ??? (in /usr/bin/python3.6) ==90507== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90507== ==90507== Conditional jump or move depends on uninitialised value(s) ==90507== at 0x4E63458: internal_utf8_loop (loop.c:298) ==90507== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==90507== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90507== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90507== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90507== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90507== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90507== by 0x551B80: ??? (in /usr/bin/python3.6) ==90507== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90507== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90507== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90507== by 0x509D47: ??? (in /usr/bin/python3.6) ==90507== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90507== ==90507== Conditional jump or move depends on uninitialised value(s) ==90507== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==90507== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90507== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90507== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90507== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==90507== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==90507== by 0x4F8388: ??? (in /usr/bin/python3.6) ==90507== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==90507== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==90507== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==90507== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==90507== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90507== ==90507== ==90507== HEAP SUMMARY: ==90507== in use at exit: 2,764,995 bytes in 1,647 blocks ==90507== total heap usage: 56,513 allocs, 54,866 frees, 162,242,010 bytes allocated ==90507== ==90507== LEAK SUMMARY: ==90507== definitely lost: 0 bytes in 0 blocks ==90507== indirectly lost: 0 bytes in 0 blocks ==90507== possibly lost: 146,155 bytes in 87 blocks ==90507== still reachable: 2,618,840 bytes in 1,560 blocks ==90507== suppressed: 0 bytes in 0 blocks ==90507== Rerun with --leak-check=full to see details of leaked memory ==90507== ==90507== For counts of detected and suppressed errors, rerun with: -v ==90507== Use --track-origins=yes to see where uninitialised values come from ==90507== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12383 from 656) ================================================================================ 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.