Model Extended KIM ID = === Verification check vc-memory-leak start (2018-05-10 20:02:21) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_Williams_Mishin_CuAg__MO_128703483589_004 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 = 195.308221552 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 = 392.053533151 Forces: 1 1.59711515e+01 -1.33316187e+01 3.14145609e+00 2 -1.47344357e+01 3.32509958e+00 1.25507414e+01 3 4.62523473e+00 5.70084603e+00 9.75285078e-01 4 1.20142235e+01 1.41959345e+01 9.82717355e+00 5 3.96798156e+00 -7.37397189e+00 -3.28512385e+00 6 -2.07978421e+01 2.08431001e+01 1.41126539e+00 7 -3.09881480e+00 -1.61695456e+01 -1.20222666e+01 8 -1.24042288e+01 -1.05007829e+01 5.70600107e+00 9 -1.18707331e+01 -2.66587182e+01 5.54836184e+00 10 1.29115666e+01 1.05591889e+01 -1.55080426e+00 11 2.02811104e+00 -1.36707361e+01 -9.07971855e+00 12 -1.14965172e+00 6.44761180e+00 1.94216586e+01 13 -7.02245358e+00 -6.61873643e+00 -2.34419811e+01 14 -1.26402458e+01 5.64437617e+00 -1.39918784e+01 15 2.11136846e+01 -7.89640800e+00 6.09214177e+00 16 -1.94597832e-01 2.00948427e+01 4.17803876e+00 17 4.57345125e+00 -1.62673474e+01 -6.67287595e+00 18 1.19137206e+01 1.06528815e+01 -2.03031934e+00 19 8.79426374e+00 3.09300493e+00 6.24270184e+00 20 1.26254312e+01 2.54667569e+01 -4.89679027e+00 21 -1.22481732e+01 1.89051104e+00 8.02636848e+00 22 -2.70555075e+00 2.75625701e+01 1.12253458e+01 23 -2.03749807e+01 -2.08062004e+01 -9.52979809e+00 24 1.19705645e+01 2.59228675e+00 -1.80031091e+01 25 -1.55008828e+01 -5.27393415e+00 1.35562381e+01 26 -3.83924859e+00 7.83675802e+00 -7.93044711e+00 27 9.80903880e+00 -2.48490136e+01 -1.03810869e+01 28 -2.21655646e+01 1.25648689e+01 -1.16335804e+01 29 4.62626963e-01 -1.46060472e+01 8.03038073e+00 30 2.99850822e+00 2.61075645e+00 5.48382183e+00 31 1.27026830e+01 -8.68262780e+00 6.46932670e+00 32 1.22651624e+01 1.16242940e+01 6.56347286e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11.0306791369 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 = 77.573320804 Forces: 1 -6.65544220e+00 -1.03095859e+01 1.19979761e+01 2 1.22278471e+01 -3.77284224e+00 1.91737832e+00 3 1.28719646e+01 -1.35485675e+01 -1.55604531e+01 4 -1.52063692e+01 8.72982533e+00 -1.02835942e+01 5 -2.81315508e+01 -1.40358375e+00 -1.64625998e+01 6 3.33848915e+00 1.56506420e+01 1.25310791e+01 7 1.84689146e+01 1.77094922e+00 2.16712890e+01 8 1.47905377e+01 2.14355211e+01 -3.57454676e+01 9 -1.47717712e+01 4.92226040e+00 -5.51459849e+00 10 5.76838870e+00 1.00853342e+01 2.04181179e+00 11 1.74435524e+01 1.09205006e+01 -3.39992425e+00 12 2.04434451e+00 -4.69098054e+00 4.25804028e+00 13 -2.78974689e+01 -2.21128884e+01 2.75608438e+01 14 2.42261674e+01 5.43156728e+01 6.27406138e+01 15 1.10940325e+01 -1.12649520e+01 -5.23126155e+00 16 -1.77109804e+01 1.18960703e+01 6.13658861e+00 17 -3.01620382e+00 -7.67222051e+00 5.58275632e+00 18 -1.60770115e+01 6.70299359e+00 2.47210964e+01 19 2.53300100e+01 -1.97125075e+01 -1.10773562e+01 20 -6.13592371e-02 2.47956780e+01 -3.35080019e+00 21 1.17255046e+01 -2.84437562e+01 2.73745783e+01 22 6.85560625e-01 -6.53636788e+00 -3.86851053e+00 23 -7.77581103e+00 -1.47803461e+01 -5.36993733e+00 24 -9.98026089e+00 -1.84262187e+01 -1.23320337e+00 25 -8.45176414e+00 1.33867905e+01 1.23219240e+01 26 1.73572170e+00 -5.84877906e+00 1.41531501e+00 27 3.71243659e+00 -9.06231355e+00 -4.97964453e-01 28 3.15561531e+01 1.70424836e+01 -4.75180911e-01 29 -1.01533574e+01 1.79054759e+01 -1.40520293e+01 30 -1.09989213e+01 -2.06182933e+00 -1.24496152e+01 31 8.92371200e+00 -6.70634808e+01 -5.31082670e+01 32 -2.90550652e+01 2.71510223e+01 -2.45905274e+01 MIXED STRUCTURE (pbc=False)-- Species = Ag Cu (Configuration in file "config-F-AgCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 96.898657422 Forces: 1 -5.26483510e+00 -4.44735632e+00 -5.67362282e+00 2 -4.16308378e+00 5.43620639e+00 -2.18455871e+01 3 1.76873330e+01 -2.64988643e+01 -1.30602415e+01 4 -2.70529530e+01 -4.11193444e+00 -7.81408509e+00 5 -2.47292459e+00 -1.71414486e+01 -2.02419202e+01 6 1.12112166e+01 -1.03250069e+01 -3.06321225e+01 7 1.74392966e+01 -1.83139635e+01 -7.17053132e+00 8 1.20995072e+01 1.12574654e+00 -1.10611449e+01 9 -6.87537744e+00 6.56827861e+00 -1.14718854e+01 10 -1.29754404e+01 1.68394845e+01 -2.06627169e+01 11 1.62041387e+01 2.83157682e+00 -1.16039668e+01 12 -2.38648824e+01 1.81532315e+01 -7.19988359e+00 13 2.10997894e+00 -6.31476093e+00 -9.78694989e+00 14 8.33730178e+00 5.06066351e+00 -4.93285073e+00 15 1.07926490e+01 2.34763825e+01 1.49182599e+01 16 9.08194490e+00 9.89298609e+00 1.16545968e+01 17 -2.78693001e+01 -1.21736670e+01 2.97488904e+00 18 -5.08682621e+00 -4.96355938e+00 2.43665324e+01 19 8.94174793e+00 -7.22065169e+00 1.85745074e+01 20 -1.03874135e+01 -8.06591368e+00 1.77595395e+01 21 -1.29383620e+01 -1.85653822e+01 -4.17231682e+00 22 1.32701166e+01 7.65305706e+00 1.72069832e+01 23 9.82742728e+00 -4.71397819e+00 1.27277349e+01 24 4.11724530e+00 -8.58009605e-01 1.58174949e+01 25 -2.20322014e+01 5.16392689e+00 5.09855133e+00 26 1.83007601e+01 1.31390346e+01 -6.96618396e+00 27 6.09942406e+00 -8.58767062e+00 1.16287576e+01 28 -2.57887937e+01 1.16151308e+01 1.77314410e+01 29 -2.36853445e+00 8.19180705e+00 7.55450171e+00 30 8.43485807e+00 1.48191946e+01 -4.33190658e+00 31 7.27801254e+00 -6.42302690e+00 1.39936728e+01 32 7.90796948e+00 8.75848685e+00 6.62045384e+00 MIXED STRUCTURE (pbc=True)-- Species = Ag Cu (Configuration in file "config-T-AgCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 225.021206404 Forces: 1 6.56166553e+00 2.18080617e+01 -1.32681689e+01 2 -5.45711904e+00 2.40096050e+00 -4.21543323e+00 3 1.86603047e+01 -7.62780321e+00 -7.80781673e+00 4 -2.61727354e+00 -4.38894100e+00 -5.05952381e+00 5 -5.86426472e+00 4.99141093e-01 -1.47887211e+01 6 -2.06842590e+01 -3.27746091e+01 -2.99755696e+01 7 4.41047461e+00 -9.47448457e-01 4.24180262e+00 8 1.20757403e+01 1.11132698e+00 -1.12128757e+01 9 2.44891651e+01 2.40838036e+01 -1.18034537e+01 10 -6.93621709e-02 -5.35027947e+00 -1.11824787e+01 11 1.60734875e+01 3.00827255e+00 -1.16402359e+01 12 -8.24966960e+00 -2.00315750e-01 -1.62566258e+01 13 9.69960548e+00 -1.06656679e+01 7.37479002e+00 14 -1.39600961e+01 -2.11905722e+01 -3.14839884e+00 15 -1.05579665e+01 2.20504680e+01 2.00258128e+01 16 1.55789950e+00 -1.32744885e+01 4.76115676e+00 17 -2.81616848e+01 1.44967493e+01 6.94344515e+00 18 -4.76607535e+00 -4.63264972e+00 2.42253722e+01 19 1.20136402e+01 2.17329717e+01 2.45051195e+01 20 1.00060276e+01 -1.81140141e+01 1.47912830e+01 21 -6.99763284e+00 4.58828881e+00 2.84452906e+00 22 -1.28036783e+01 2.16556559e+00 1.13895913e+01 23 1.53556081e+01 1.02264514e+01 1.33729714e+00 24 8.21535737e+00 6.29851870e-01 3.66316696e+00 25 -2.95004703e+00 8.39580181e+00 6.18495789e+00 26 3.10725689e+01 -2.21798363e+01 -1.83388014e+01 27 -2.00431622e+00 -6.52603107e+00 -4.71586963e+00 28 -1.80963708e+01 -6.19047246e+00 1.83219919e+01 29 -2.64689332e+00 7.58307214e+00 7.38437931e+00 30 -1.59579172e+01 6.48934689e+00 -2.51606894e+00 31 -1.30283689e+01 2.73636691e+00 9.87480311e+00 32 4.68145051e+00 5.66282266e-02 -1.93945651e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==6850== Memcheck, a memory error detector ==6850== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==6850== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==6850== Command: python runner2.py EAM_Dynamo_Williams_Mishin_CuAg__MO_128703483589_004 ==6850== ==6850== ==6850== HEAP SUMMARY: ==6850== in use at exit: 4,109,995 bytes in 5,851 blocks ==6850== total heap usage: 75,299 allocs, 69,448 frees, 92,209,308 bytes allocated ==6850== ==6850== LEAK SUMMARY: ==6850== definitely lost: 0 bytes in 0 blocks ==6850== indirectly lost: 0 bytes in 0 blocks ==6850== possibly lost: 172,751 bytes in 105 blocks ==6850== still reachable: 3,937,244 bytes in 5,746 blocks ==6850== suppressed: 0 bytes in 0 blocks ==6850== Rerun with --leak-check=full to see details of leaked memory ==6850== ==6850== For counts of detected and suppressed errors, rerun with: -v ==6850== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2398 from 126) ================================================================================ 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. === Verification check vc-memory-leak end (2018-05-10 20:02:45) ===