Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:29) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_000 Supported species : Cu Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 6.795283565242464 Forces: 1 -2.77330435e+00 -6.21824665e+00 -6.63342091e+00 2 -8.09520555e+00 1.22987978e+01 -8.20332609e+00 3 7.40197865e-01 -8.46300210e+00 -1.43506432e+00 4 -4.02898909e+00 3.86143123e+00 3.90657706e+00 5 1.01418552e+01 -1.63245246e+01 -1.67039560e+00 6 3.00535070e+00 1.63557037e+00 -5.18982421e+00 7 3.75789881e+00 -2.17890628e+01 -2.02372121e+01 8 -7.75460211e+00 -8.89357279e+00 9.60551052e-01 9 -9.87088645e+00 -5.65714322e+00 -1.45102004e+01 10 -3.41367195e+00 1.63257711e+01 -1.58516914e+01 11 -2.29290889e+00 -1.27365745e+01 1.03561913e+01 12 -7.83208452e+00 1.34801532e+01 7.00819699e-02 13 -3.82456995e+00 -7.33117576e+00 -3.35003565e+01 14 5.31236812e+00 7.01771258e+00 -4.36122381e+00 15 2.85006823e+01 -3.91579070e+00 9.22239047e+00 16 3.69498439e+00 2.18083428e+01 1.16410011e+01 17 -8.64426759e+00 -3.50628527e+00 -3.54054198e+00 18 -2.88512699e+00 7.77074044e+00 3.17849300e+00 19 4.60959156e+00 -6.80892022e+00 5.21517262e+00 20 -2.96317223e+00 6.22600337e+00 3.98476818e+00 21 -8.10443220e+00 -8.21292337e+00 6.24425215e+00 22 1.33238395e+01 1.85747051e+01 1.61214993e+01 23 2.33364531e+00 -6.97980835e-01 4.35287572e+00 24 1.90659467e+00 8.46141096e-01 3.76993608e+00 25 -5.40146350e+00 -7.96654053e+00 9.86219222e+00 26 -5.40108665e+00 1.34104123e+01 -7.63865073e+00 27 8.49876949e+00 -2.52578139e+01 6.93392009e+00 28 -2.05003384e+01 1.70200366e+01 2.63161871e+00 29 -6.07155001e+00 -9.75578159e+00 3.18090675e+00 30 6.07015661e+00 1.02426166e+01 3.28093640e-01 31 1.14141223e+01 -7.81244280e+00 9.44139100e+00 32 6.54760355e+00 1.08293472e+01 1.13699955e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 6.795283565242464 Forces: 1 -2.77330435e+00 -6.21824665e+00 -6.63342091e+00 2 -8.09520555e+00 1.22987978e+01 -8.20332609e+00 3 7.40197865e-01 -8.46300210e+00 -1.43506432e+00 4 -4.02898909e+00 3.86143123e+00 3.90657706e+00 5 1.01418552e+01 -1.63245246e+01 -1.67039560e+00 6 3.00535070e+00 1.63557037e+00 -5.18982421e+00 7 3.75789881e+00 -2.17890628e+01 -2.02372121e+01 8 -7.75460211e+00 -8.89357279e+00 9.60551052e-01 9 -9.87088645e+00 -5.65714322e+00 -1.45102004e+01 10 -3.41367195e+00 1.63257711e+01 -1.58516914e+01 11 -2.29290889e+00 -1.27365745e+01 1.03561913e+01 12 -7.83208452e+00 1.34801532e+01 7.00819699e-02 13 -3.82456995e+00 -7.33117576e+00 -3.35003565e+01 14 5.31236812e+00 7.01771258e+00 -4.36122381e+00 15 2.85006823e+01 -3.91579070e+00 9.22239047e+00 16 3.69498439e+00 2.18083428e+01 1.16410011e+01 17 -8.64426759e+00 -3.50628527e+00 -3.54054198e+00 18 -2.88512699e+00 7.77074044e+00 3.17849300e+00 19 4.60959156e+00 -6.80892022e+00 5.21517262e+00 20 -2.96317223e+00 6.22600337e+00 3.98476818e+00 21 -8.10443220e+00 -8.21292337e+00 6.24425215e+00 22 1.33238395e+01 1.85747051e+01 1.61214993e+01 23 2.33364531e+00 -6.97980835e-01 4.35287572e+00 24 1.90659467e+00 8.46141096e-01 3.76993608e+00 25 -5.40146350e+00 -7.96654053e+00 9.86219222e+00 26 -5.40108665e+00 1.34104123e+01 -7.63865073e+00 27 8.49876949e+00 -2.52578139e+01 6.93392009e+00 28 -2.05003384e+01 1.70200366e+01 2.63161871e+00 29 -6.07155001e+00 -9.75578159e+00 3.18090675e+00 30 6.07015661e+00 1.02426166e+01 3.28093640e-01 31 1.14141223e+01 -7.81244280e+00 9.44139100e+00 32 6.54760355e+00 1.08293472e+01 1.13699955e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.437626518447807 Forces: 1 -5.81417775e+00 -9.06996178e+00 -9.52820515e+00 2 -9.11366308e+00 -1.03513188e+01 -3.60231916e+01 3 1.09635061e+01 -3.48879874e+01 -1.81353149e+01 4 -3.05319522e+01 3.00892133e+01 -2.17567380e+01 5 -2.91585854e+00 -1.34439445e+01 -1.46004199e+01 6 1.45438598e+01 -8.05823280e+00 -1.59094948e+01 7 1.86121513e+01 -6.59920902e+00 -8.61339667e+00 8 2.28412286e+01 -1.50707395e+01 9.76683223e+00 9 -7.04053179e+00 1.75077324e+00 -7.82313712e+00 10 -5.07203513e+00 7.60705623e+00 -1.24578934e+01 11 -4.35753754e+01 1.56205518e+01 1.10158966e+01 12 -5.67023013e+00 7.61608331e+00 5.58291471e-01 13 9.42713173e+00 1.12310771e+01 -4.50740383e+01 14 1.48065831e+00 2.91413697e+00 -3.13138579e+00 15 2.67632187e+01 6.72610615e+00 1.42483387e+01 16 6.41314775e+00 2.06868998e+01 -2.28696299e+01 17 -3.57384136e+01 -4.83406932e+01 2.66698096e+01 18 2.07759358e+01 3.14576883e+01 -9.57941806e-01 19 1.01402460e+01 -2.62530666e+01 2.80757753e+01 20 -2.24554925e+01 1.14467515e+01 1.59694513e+01 21 -9.81253815e+00 -1.92115431e+01 1.02353724e+01 22 2.08711259e+01 1.07850917e+01 -1.26678124e+01 23 1.71411057e+01 -2.57210629e+01 1.35184226e+01 24 -1.99797811e+01 1.41563023e+01 1.72388259e+01 25 -1.04335549e+01 -8.94286078e+00 -1.27168552e+01 26 -1.59684325e+01 1.41769361e+01 2.01493228e+01 27 1.21746690e+01 -7.97787438e+00 1.09979279e+01 28 -1.03985598e+01 2.03993330e+01 1.13010700e+01 29 1.45844100e+01 8.01805566e+00 3.17311384e+01 30 2.09922149e+01 1.00366267e+01 1.37972052e+01 31 1.14335172e+01 1.85489936e+00 2.97500952e+00 32 -4.63753027e+00 7.35491206e+00 4.01676489e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.437626518447807 Forces: 1 -5.81417775e+00 -9.06996178e+00 -9.52820515e+00 2 -9.11366308e+00 -1.03513188e+01 -3.60231916e+01 3 1.09635061e+01 -3.48879874e+01 -1.81353149e+01 4 -3.05319522e+01 3.00892133e+01 -2.17567380e+01 5 -2.91585854e+00 -1.34439445e+01 -1.46004199e+01 6 1.45438598e+01 -8.05823280e+00 -1.59094948e+01 7 1.86121513e+01 -6.59920902e+00 -8.61339667e+00 8 2.28412286e+01 -1.50707395e+01 9.76683223e+00 9 -7.04053179e+00 1.75077324e+00 -7.82313712e+00 10 -5.07203513e+00 7.60705623e+00 -1.24578934e+01 11 -4.35753754e+01 1.56205518e+01 1.10158966e+01 12 -5.67023013e+00 7.61608331e+00 5.58291471e-01 13 9.42713173e+00 1.12310771e+01 -4.50740383e+01 14 1.48065831e+00 2.91413697e+00 -3.13138579e+00 15 2.67632187e+01 6.72610615e+00 1.42483387e+01 16 6.41314775e+00 2.06868998e+01 -2.28696299e+01 17 -3.57384136e+01 -4.83406932e+01 2.66698096e+01 18 2.07759358e+01 3.14576883e+01 -9.57941806e-01 19 1.01402460e+01 -2.62530666e+01 2.80757753e+01 20 -2.24554925e+01 1.14467515e+01 1.59694513e+01 21 -9.81253815e+00 -1.92115431e+01 1.02353724e+01 22 2.08711259e+01 1.07850917e+01 -1.26678124e+01 23 1.71411057e+01 -2.57210629e+01 1.35184226e+01 24 -1.99797811e+01 1.41563023e+01 1.72388259e+01 25 -1.04335549e+01 -8.94286078e+00 -1.27168552e+01 26 -1.59684325e+01 1.41769361e+01 2.01493228e+01 27 1.21746690e+01 -7.97787438e+00 1.09979279e+01 28 -1.03985598e+01 2.03993330e+01 1.13010700e+01 29 1.45844100e+01 8.01805566e+00 3.17311384e+01 30 2.09922149e+01 1.00366267e+01 1.37972052e+01 31 1.14335172e+01 1.85489936e+00 2.97500952e+00 32 -4.63753027e+00 7.35491206e+00 4.01676489e+00 MIXED STRUCTURE (pbc=False)-- Species = Cu Ta (Configuration in file "config-F-CuTa.xyz") ----------------------------------------------------------------------------------------------------- Energy = 183.31247387557528 Forces: 1 -3.87594889e+01 -2.39231576e+01 -3.41850189e+01 2 8.27146703e+00 2.71587218e+01 -5.72876601e+01 3 2.18566691e+01 -6.15489629e+01 5.16282470e+01 4 -6.32159750e+01 4.23077006e+01 -7.91515752e+00 5 2.19799245e+01 -2.54703963e+01 -5.40695834e+01 6 1.33766785e+01 -5.50661102e+00 -1.57664559e+01 7 3.40441339e+01 -1.96170089e+01 7.36683228e+00 8 1.58014510e+01 -7.79456004e+00 9.46951679e+00 9 -2.19146062e+01 1.26834410e+01 -3.73945822e+00 10 4.32435557e+00 1.05008042e+01 -9.39859968e+00 11 -1.06314698e+01 4.00368562e+00 -1.80353895e+01 12 -1.56358863e+01 8.71839228e+00 -8.16271490e+00 13 -1.01788217e+01 1.22593001e+01 -2.38436000e+01 14 8.67688524e+00 2.05041838e+01 -2.86773060e+01 15 3.26276759e+01 -2.00655981e+01 2.18804792e+01 16 -1.96062383e+01 2.42456568e+01 3.29551105e+00 17 -1.61694572e+01 -2.94202484e+01 2.85742756e+01 18 -1.86336725e+01 2.54238498e+01 -1.65676329e+01 19 -4.10430013e+01 -3.60750373e+01 5.63524714e+01 20 -1.39682386e+01 -1.54857583e+01 1.96653797e+01 21 1.00148184e+01 -8.28030836e+01 -4.95332718e+01 22 4.44810279e+01 1.78695292e+01 -4.58080670e+01 23 4.83471977e+01 -4.28690560e+01 2.53341813e+01 24 -3.16326764e+01 5.36202057e+01 7.21931952e+01 25 -6.06211211e+01 -7.49160766e+00 -3.42193876e+01 26 2.05884811e+01 3.26530151e+01 2.42491421e+00 27 5.19139179e+01 1.84386727e+00 4.03496852e+01 28 -2.67772539e+01 3.48785099e+01 2.46295452e+01 29 1.52202471e+01 4.57741338e+00 1.40329193e+01 30 1.44538751e+01 1.09746314e+01 -1.11114279e+00 31 3.11872081e+01 2.92281276e+01 1.87801015e+01 32 -8.37810684e+00 4.62005070e+00 1.23431914e+01 MIXED STRUCTURE (pbc=True)-- Species = Cu Ta (Configuration in file "config-T-CuTa.xyz") ----------------------------------------------------------------------------------------------------- Energy = 240.67915394372963 Forces: 1 -3.66216993e+01 -1.94235639e+01 -3.82011433e+01 2 2.18148840e+01 2.76577156e+01 -2.95926384e+01 3 2.39293182e+01 -5.44151692e+01 5.34514614e+01 4 -4.83780226e+01 4.29675241e+01 -1.05836914e+01 5 2.64170378e+01 -1.44138226e+01 -3.76758274e+01 6 1.20656571e+01 -7.85817496e+00 -1.25822555e+00 7 2.83210122e+01 -2.04211342e+00 3.44059954e+00 8 1.65296526e+01 -7.83881974e+00 8.47498827e+00 9 -9.65068847e+00 1.71114542e+01 4.03282699e+00 10 1.60054508e+00 2.50339732e-02 -6.44149424e+00 11 -1.10898965e+01 5.47710360e+00 -1.88516851e+01 12 -6.74805704e+00 8.19736985e-01 -8.85169648e+00 13 -1.07277520e+01 1.26778634e+01 -1.98973584e+01 14 1.07641827e+01 1.47089669e+01 -2.62267974e+01 15 1.53990128e+01 -1.98931016e+01 2.22541360e+01 16 -2.44485941e+01 4.06448985e+00 8.23479443e+00 17 -3.70817255e+00 -2.51213492e+01 2.99051718e+01 18 -1.94878658e+01 2.51241445e+01 -1.68799857e+01 19 -5.44859585e+01 -2.66483432e+01 3.77571645e+01 20 -4.23413095e+00 -2.96022221e+01 -5.85668224e-01 21 1.65422807e+00 -6.25949885e+01 -5.99778474e+01 22 2.83122509e+01 2.08430275e+01 -4.33161674e+01 23 4.92473427e+01 -3.32047461e+01 2.98029002e+01 24 -3.27131138e+01 5.50498989e+01 6.00440775e+01 25 -3.56912622e+01 -6.76210909e+00 -4.42539853e+01 26 2.00499957e+01 2.99891517e+01 1.07706688e+00 27 5.31031586e+01 3.20281243e+00 3.65663252e+01 28 -6.68219815e+00 3.89947388e+01 3.60393761e+01 29 1.55745473e+01 5.39815156e+00 1.40776803e+01 30 -4.62891842e-01 -2.29687043e+00 -1.09809652e+01 31 -1.50101112e+01 3.29367592e+01 1.41613874e+01 32 -4.64241069e+00 -2.49331791e+01 1.42552205e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1304770== Memcheck, a memory error detector ==1304770== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1304770== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1304770== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_000 ==1304770== ==1306149== Warning: invalid file descriptor 1024 in syscall close() ==1306149== Warning: invalid file descriptor 1025 in syscall close() ==1306149== Warning: invalid file descriptor 1026 in syscall close() ==1306149== Warning: invalid file descriptor 1027 in syscall close() ==1306149== Use --log-fd= to select an alternative log fd. ==1306149== Warning: invalid file descriptor 1028 in syscall close() ==1306149== Warning: invalid file descriptor 1029 in syscall close() ==1304770== ==1304770== HEAP SUMMARY: ==1304770== in use at exit: 2,257,799 bytes in 1,705 blocks ==1304770== total heap usage: 84,130 allocs, 82,425 frees, 91,757,608 bytes allocated ==1304770== ==1304770== LEAK SUMMARY: ==1304770== definitely lost: 0 bytes in 0 blocks ==1304770== indirectly lost: 0 bytes in 0 blocks ==1304770== possibly lost: 180,827 bytes in 103 blocks ==1304770== still reachable: 2,076,940 bytes in 1,601 blocks ==1304770== of which reachable via heuristic: ==1304770== stdstring : 38 bytes in 1 blocks ==1304770== suppressed: 32 bytes in 1 blocks ==1304770== Rerun with --leak-check=full to see details of leaked memory ==1304770== ==1304770== For lists of detected and suppressed errors, rerun with: -s ==1304770== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 8192 from 556) ================================================================================ 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 (2022-11-30 10:17:02) ===