Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:39:01) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.43498443353522 Forces: 1 -9.91512672e+00 -7.87886958e+00 -1.35281005e+01 2 -7.33538523e+00 1.36347310e+01 -6.25337044e+00 3 8.86265274e+00 -6.59280566e+00 9.79562047e+00 4 -5.56913571e+00 8.30433302e+00 8.39482006e+00 5 4.37909350e+00 -1.76701679e+01 -2.03880396e+00 6 1.01933976e+01 7.34397610e+00 -9.05735024e+00 7 1.74403183e+00 -3.29914456e+01 -3.10743230e+01 8 -1.55920581e+01 -1.17925378e+01 6.32213539e+00 9 -7.22500477e+00 -9.17138278e+00 -1.47788259e+01 10 -5.22659885e+00 1.48016913e+01 -1.80495134e+01 11 -1.46238349e+00 -1.06870858e+01 8.73261116e+00 12 -6.98792080e+00 1.05335239e+01 6.98608418e+00 13 -1.32857974e+01 -1.07868603e+01 -4.28645231e+01 14 5.92535363e+00 8.73484785e+00 -4.91469300e+00 15 3.57841383e+01 -7.58262573e+00 1.41652283e+01 16 6.58334452e+00 2.55524364e+01 1.68691463e+01 17 -1.05582504e+01 -6.60908793e+00 -9.14535719e+00 18 5.85599268e+00 1.35258351e+01 -1.34890439e+01 19 8.59063034e+00 -1.52314389e+01 1.27438281e+01 20 -6.57683642e+00 8.84700344e+00 8.51229586e+00 21 -1.93597239e+01 -7.25122434e+00 1.16841795e+00 22 1.74166708e+01 3.05386645e+01 2.61511734e+01 23 7.93932906e+00 -5.49294936e-01 1.19699484e+01 24 8.20378790e-02 -2.40291161e+00 4.15051219e+00 25 -1.03850293e+01 -9.29618352e+00 -4.63458639e+00 26 -5.47091092e+00 1.67313096e+01 -1.16055863e+01 27 2.08880994e+01 -3.88764709e+01 1.17388219e+01 28 -3.25885629e+01 3.06907167e+01 6.13073944e+00 29 -8.74341946e+00 -1.28236003e+01 1.28915890e+00 30 5.92562437e+00 1.25980608e+01 3.43071658e+00 31 1.74291214e+01 -7.45064228e+00 9.38484419e+00 32 8.68262616e+00 1.38075063e+01 1.34979745e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.43498443353522 Forces: 1 -9.91512672e+00 -7.87886958e+00 -1.35281005e+01 2 -7.33538523e+00 1.36347310e+01 -6.25337044e+00 3 8.86265274e+00 -6.59280566e+00 9.79562047e+00 4 -5.56913571e+00 8.30433302e+00 8.39482006e+00 5 4.37909350e+00 -1.76701679e+01 -2.03880396e+00 6 1.01933976e+01 7.34397610e+00 -9.05735024e+00 7 1.74403183e+00 -3.29914456e+01 -3.10743230e+01 8 -1.55920581e+01 -1.17925378e+01 6.32213539e+00 9 -7.22500477e+00 -9.17138278e+00 -1.47788259e+01 10 -5.22659885e+00 1.48016913e+01 -1.80495134e+01 11 -1.46238349e+00 -1.06870858e+01 8.73261116e+00 12 -6.98792080e+00 1.05335239e+01 6.98608418e+00 13 -1.32857974e+01 -1.07868603e+01 -4.28645231e+01 14 5.92535363e+00 8.73484785e+00 -4.91469300e+00 15 3.57841383e+01 -7.58262573e+00 1.41652283e+01 16 6.58334452e+00 2.55524364e+01 1.68691463e+01 17 -1.05582504e+01 -6.60908793e+00 -9.14535719e+00 18 5.85599268e+00 1.35258351e+01 -1.34890439e+01 19 8.59063034e+00 -1.52314389e+01 1.27438281e+01 20 -6.57683642e+00 8.84700344e+00 8.51229586e+00 21 -1.93597239e+01 -7.25122434e+00 1.16841795e+00 22 1.74166708e+01 3.05386645e+01 2.61511734e+01 23 7.93932906e+00 -5.49294936e-01 1.19699484e+01 24 8.20378790e-02 -2.40291161e+00 4.15051219e+00 25 -1.03850293e+01 -9.29618352e+00 -4.63458639e+00 26 -5.47091092e+00 1.67313096e+01 -1.16055863e+01 27 2.08880994e+01 -3.88764709e+01 1.17388219e+01 28 -3.25885629e+01 3.06907167e+01 6.13073944e+00 29 -8.74341946e+00 -1.28236003e+01 1.28915890e+00 30 5.92562437e+00 1.25980608e+01 3.43071658e+00 31 1.74291214e+01 -7.45064228e+00 9.38484419e+00 32 8.68262616e+00 1.38075063e+01 1.34979745e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory === Verification check vc-memory-leak end (2022-11-29 18:39:01) ===