!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_001 Supported species : Cu 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 = 26.642967033466004 Forces: 1 -9.50074810e+00 -7.05973510e+00 -1.76244433e+01 2 -2.84375093e+00 2.35066093e+00 -2.55814490e+00 3 1.36212640e+01 -8.21974029e+00 5.00838005e+00 4 -4.45437600e+00 8.33279165e+00 8.43163187e+00 5 -1.84517019e+00 -8.83552220e+00 -1.79918062e+00 6 6.09310989e+00 7.45229621e+00 -3.69242794e+00 7 -7.80983469e+00 -5.31215921e+01 -4.21415594e+01 8 -1.61850866e+00 -1.05957295e+01 3.99262541e+00 9 -8.87941362e-01 -1.54695296e+01 -1.67718833e+01 10 -1.06056660e+01 2.66101365e+01 -1.98151700e+01 11 -6.19451479e+00 -1.29108684e+01 6.17270119e+00 12 -1.83231374e+00 1.40379213e+01 1.42083526e+01 13 -1.65223448e+01 -3.34632369e+01 -3.86095150e+01 14 1.05454482e+01 7.55682329e+00 5.33617465e-02 15 4.22846004e+01 -7.56894899e+00 9.21352750e+00 16 -1.01229034e+01 3.13366522e+01 1.67646762e+01 17 -1.07949877e+01 -2.88275532e+00 -8.24060314e+00 18 2.26026261e+00 3.45569875e+00 -3.28972577e+00 19 8.85616281e+00 -1.24019015e+01 4.07507564e+00 20 -8.54203380e+00 1.23168438e+01 8.72803978e+00 21 -7.82711172e+00 -1.12712339e+01 -6.63487470e+00 22 2.17826972e+01 5.79884547e+01 4.79721755e+01 23 4.11528238e+00 -3.81085729e-01 4.30686358e+00 24 4.58422968e+00 5.86819049e-01 1.03398736e+00 25 -8.07385879e+00 1.90936318e+00 3.21737383e+00 26 -2.18567448e+00 7.38082414e+00 -8.19793968e+00 27 2.99614597e+01 -4.19667984e+01 9.88739522e+00 28 -3.99362906e+01 3.65232255e+01 -1.13386454e+00 29 -2.40416273e+01 -1.31514544e+00 -3.51044850e-01 30 8.13672099e+00 1.53241682e+01 -6.24022616e+00 31 3.14742632e+01 -2.57700842e+01 1.67273416e+01 32 -8.07584402e+00 2.00712284e+01 1.73070942e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 34.7601063887767 Forces: 1 -9.33442075e+00 -6.95994368e+00 -1.78030550e+01 2 -2.32990054e+00 1.71242456e+00 -2.87649857e+00 3 1.32462603e+01 -7.67089890e+00 4.77709506e+00 4 -5.19316979e+00 8.15247351e+00 8.79106397e+00 5 -1.93877888e+00 -9.05768487e+00 -2.02503073e+00 6 6.53460254e+00 7.69626095e+00 -4.27112739e+00 7 -9.30794699e+00 -5.29811568e+01 -3.99503128e+01 8 -1.42503965e+00 -1.06582650e+01 6.14041729e+00 9 -6.83362214e-01 -1.51319409e+01 -1.67251691e+01 10 -9.73297259e+00 2.84260604e+01 -2.13207306e+01 11 -5.83869229e+00 -1.53857398e+01 7.58113422e+00 12 -2.58620988e+00 1.41386732e+01 1.44491911e+01 13 -1.72154986e+01 -3.47226234e+01 -3.85995270e+01 14 1.21820000e+01 8.02236493e+00 8.69278684e-01 15 4.17399157e+01 -6.83229616e+00 7.23952463e+00 16 -1.17263756e+01 3.13207542e+01 1.62128930e+01 17 -1.09866242e+01 -3.07293867e+00 -8.39553480e+00 18 2.82271159e+00 3.55253159e+00 -3.47954962e+00 19 8.53556840e+00 -1.31690066e+01 3.94069377e+00 20 -8.76175826e+00 1.25548029e+01 9.06903226e+00 21 -7.55223923e+00 -1.27357232e+01 -7.59211219e+00 22 2.41601048e+01 6.00254970e+01 4.67216717e+01 23 3.91979574e+00 -1.05110055e+00 4.97239311e+00 24 4.87520261e+00 1.37695908e+00 6.49319908e-01 25 -8.74201986e+00 2.51114424e+00 3.48173508e+00 26 -2.06768109e+00 7.81835253e+00 -8.51971917e+00 27 2.97455154e+01 -4.21291740e+01 1.01056265e+01 28 -4.01234578e+01 3.66056535e+01 -9.76485547e-01 29 -2.48027861e+01 -7.21818752e-01 -1.27498204e-01 30 8.53436775e+00 1.53484908e+01 -6.31641166e+00 31 3.19757278e+01 -2.69952211e+01 1.63265908e+01 32 -7.92283841e+00 2.00130889e+01 1.76511013e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory