Enter a model name: === Verification check vc-memory-leak start (2020-04-05 21:21:59) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 Supported species : C Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -46.60006109242349 Forces: 1 -3.18052397e+00 9.20867496e+00 6.35152557e+00 2 6.65727170e+00 -7.63756561e+00 1.64807205e+00 3 5.38159514e-01 3.37739750e+00 6.74974090e+00 4 -2.62035422e-01 -9.85130138e+00 -8.27277663e+00 5 -6.46993099e+00 9.30765310e+00 -3.78937412e+00 6 -1.38101294e-01 -2.58264091e+00 1.31086477e+00 7 1.22623518e+00 -1.38871149e-01 3.15807960e+00 8 -1.05208897e+00 4.44269119e+00 2.61743261e-01 9 1.89879080e-01 4.91370565e+00 4.38792645e+00 10 -4.55700946e-01 -5.59425634e-01 1.33147473e+00 11 -2.27833121e+00 -1.92993612e+00 2.30623819e+00 12 -6.73546621e-01 -5.22580959e+00 -2.77524526e+00 13 3.60343219e+00 2.17827520e+00 -5.28662849e+00 14 -2.25027724e+00 -3.03028092e+00 -5.26634433e-01 15 3.82021439e+00 1.03091735e+00 4.63438965e+00 16 -3.57387580e+00 5.47913379e+00 8.30533106e-01 17 7.77208242e-01 1.46517596e+00 3.42297675e+00 18 3.44757444e+00 -4.08940342e+00 4.78709034e-01 19 -1.51029605e+00 2.46154933e+00 -1.69667941e+00 20 3.67985301e-01 -3.62251368e+00 -3.71320922e+00 21 -4.51168016e-01 -2.16057239e+00 -1.31759229e+00 22 2.74479212e+00 -3.95443961e+00 6.49673304e+00 23 -1.63311980e-01 4.86783432e+00 -7.45511045e+00 24 -1.76353540e+00 -4.28253460e-01 -2.72477267e+00 25 7.09481981e-01 1.56413241e+00 -8.52646982e+00 26 4.07492035e+00 1.31437150e+00 -5.24417919e+00 27 -9.37538983e+00 4.89679632e+00 7.03695867e+00 28 6.80699150e+00 -7.10486868e+00 2.92096037e+00 29 -2.74701335e+00 -1.92280883e+00 -1.53205435e+00 30 1.13349918e+00 -5.41329329e+00 -3.46830474e+00 31 -3.76365664e+00 5.74723681e+00 9.58209008e-01 32 4.01113855e+00 -2.60356070e+00 2.04389589e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -46.60006109242349 Forces: 1 -3.18052397e+00 9.20867496e+00 6.35152557e+00 2 6.65727170e+00 -7.63756561e+00 1.64807205e+00 3 5.38159514e-01 3.37739750e+00 6.74974090e+00 4 -2.62035422e-01 -9.85130138e+00 -8.27277663e+00 5 -6.46993099e+00 9.30765310e+00 -3.78937412e+00 6 -1.38101294e-01 -2.58264091e+00 1.31086477e+00 7 1.22623518e+00 -1.38871149e-01 3.15807960e+00 8 -1.05208897e+00 4.44269119e+00 2.61743261e-01 9 1.89879080e-01 4.91370565e+00 4.38792645e+00 10 -4.55700946e-01 -5.59425634e-01 1.33147473e+00 11 -2.27833121e+00 -1.92993612e+00 2.30623819e+00 12 -6.73546621e-01 -5.22580959e+00 -2.77524526e+00 13 3.60343219e+00 2.17827520e+00 -5.28662849e+00 14 -2.25027724e+00 -3.03028092e+00 -5.26634433e-01 15 3.82021439e+00 1.03091735e+00 4.63438965e+00 16 -3.57387580e+00 5.47913379e+00 8.30533106e-01 17 7.77208242e-01 1.46517596e+00 3.42297675e+00 18 3.44757444e+00 -4.08940342e+00 4.78709034e-01 19 -1.51029605e+00 2.46154933e+00 -1.69667941e+00 20 3.67985301e-01 -3.62251368e+00 -3.71320922e+00 21 -4.51168016e-01 -2.16057239e+00 -1.31759229e+00 22 2.74479212e+00 -3.95443961e+00 6.49673304e+00 23 -1.63311980e-01 4.86783432e+00 -7.45511045e+00 24 -1.76353540e+00 -4.28253460e-01 -2.72477267e+00 25 7.09481981e-01 1.56413241e+00 -8.52646982e+00 26 4.07492035e+00 1.31437150e+00 -5.24417919e+00 27 -9.37538983e+00 4.89679632e+00 7.03695867e+00 28 6.80699150e+00 -7.10486868e+00 2.92096037e+00 29 -2.74701335e+00 -1.92280883e+00 -1.53205435e+00 30 1.13349918e+00 -5.41329329e+00 -3.46830474e+00 31 -3.76365664e+00 5.74723681e+00 9.58209008e-01 32 4.01113855e+00 -2.60356070e+00 2.04389589e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -31.769669806890363 Forces: 1 -3.07448917e+00 -2.25186675e+00 -2.62784718e+00 2 3.22174426e+00 1.03939632e+00 -6.31873919e+00 3 2.97010355e+00 -4.43513979e+00 3.60875455e+00 4 -4.39943490e+00 1.78214851e+00 5.13645439e+00 5 -1.59021405e+00 -1.93648755e+00 -6.89042982e-01 6 1.62278604e+00 1.34564257e+00 -1.40328802e+00 7 2.44112047e+00 -1.91127829e+00 -2.39111163e+00 8 1.16438798e+00 -4.32301078e+00 -3.60701213e-02 9 -2.16917516e+00 1.05641249e+00 -2.11409699e+00 10 -1.14048469e+00 4.16818571e+00 -4.08328040e+00 11 -4.79116002e+00 -3.55582774e+00 3.50056712e+00 12 -4.22435773e+00 1.73969551e+00 -2.02923188e+00 13 9.52822887e-01 -2.06200525e+00 -6.68157974e+00 14 3.13358493e+00 2.12106952e+00 -1.12375651e+00 15 4.32512543e+00 -1.02299939e+00 -1.39068576e+00 16 3.14405943e+00 7.11473043e+00 9.78542611e-02 17 -1.18283110e+00 -1.63072899e+00 -1.05786674e+00 18 -4.74833038e+00 -4.07553372e-01 -8.13763811e+00 19 -9.01670019e-01 -3.97103181e+00 2.95833196e+00 20 -4.99897422e+00 -1.99534702e+00 4.18225986e+00 21 -3.38183488e+00 -5.50782021e+00 -3.08042237e+00 22 6.13600790e+00 2.65244115e-01 -2.65098626e-01 23 2.52758894e+00 -2.58637603e+00 3.36512869e+00 24 3.55314446e+00 -2.49550310e+00 9.77879001e+00 25 -5.51918406e+00 -3.50305826e+00 -5.26601636e+00 26 2.47817408e+00 5.69549407e+00 -1.53720467e-01 27 3.17554290e-01 7.87305978e-01 5.60873222e+00 28 -3.10208183e+00 5.19261184e+00 5.40739746e+00 29 -1.02657569e+00 2.97466768e+00 -1.70395719e+00 30 1.93350713e+00 2.40572360e+00 1.27272931e+00 31 5.08056784e+00 1.61106540e+00 4.52082294e+00 32 1.24851827e+00 4.29664061e+00 1.11562750e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -31.769669806890363 Forces: 1 -3.07448917e+00 -2.25186675e+00 -2.62784718e+00 2 3.22174426e+00 1.03939632e+00 -6.31873919e+00 3 2.97010355e+00 -4.43513979e+00 3.60875455e+00 4 -4.39943490e+00 1.78214851e+00 5.13645439e+00 5 -1.59021405e+00 -1.93648755e+00 -6.89042982e-01 6 1.62278604e+00 1.34564257e+00 -1.40328802e+00 7 2.44112047e+00 -1.91127829e+00 -2.39111163e+00 8 1.16438798e+00 -4.32301078e+00 -3.60701213e-02 9 -2.16917516e+00 1.05641249e+00 -2.11409699e+00 10 -1.14048469e+00 4.16818571e+00 -4.08328040e+00 11 -4.79116002e+00 -3.55582774e+00 3.50056712e+00 12 -4.22435773e+00 1.73969551e+00 -2.02923188e+00 13 9.52822887e-01 -2.06200525e+00 -6.68157974e+00 14 3.13358493e+00 2.12106952e+00 -1.12375651e+00 15 4.32512543e+00 -1.02299939e+00 -1.39068576e+00 16 3.14405943e+00 7.11473043e+00 9.78542611e-02 17 -1.18283110e+00 -1.63072899e+00 -1.05786674e+00 18 -4.74833038e+00 -4.07553372e-01 -8.13763811e+00 19 -9.01670019e-01 -3.97103181e+00 2.95833196e+00 20 -4.99897422e+00 -1.99534702e+00 4.18225986e+00 21 -3.38183488e+00 -5.50782021e+00 -3.08042237e+00 22 6.13600790e+00 2.65244115e-01 -2.65098626e-01 23 2.52758894e+00 -2.58637603e+00 3.36512869e+00 24 3.55314446e+00 -2.49550310e+00 9.77879001e+00 25 -5.51918406e+00 -3.50305826e+00 -5.26601636e+00 26 2.47817408e+00 5.69549407e+00 -1.53720467e-01 27 3.17554290e-01 7.87305978e-01 5.60873222e+00 28 -3.10208183e+00 5.19261184e+00 5.40739746e+00 29 -1.02657569e+00 2.97466768e+00 -1.70395719e+00 30 1.93350713e+00 2.40572360e+00 1.27272931e+00 31 5.08056784e+00 1.61106540e+00 4.52082294e+00 32 1.24851827e+00 4.29664061e+00 1.11562750e+00 MIXED STRUCTURE (pbc=False)-- Species = C Cu (Configuration in file "config-F-CCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -40.300399509262235 Forces: 1 -1.75698142e+00 9.02832607e-02 -1.38396383e+00 2 -7.18312646e+00 -3.28269004e+00 3.25758201e+00 3 2.99841973e-01 -3.27794936e+00 2.08807035e+00 4 8.06665619e+00 1.33102998e+00 -3.68099830e+00 5 2.28027827e+00 -7.31031527e-01 -4.07845055e+00 6 3.68689695e+00 -2.49556969e+00 -4.50739556e-01 7 1.31446721e-01 -1.07373922e-01 -4.91253601e-01 8 -3.69398301e-02 3.82416977e-01 2.61025965e+00 9 1.53418041e+00 3.81692342e+00 3.67604872e+00 10 4.55920093e-01 -3.29974721e-01 7.99257427e-02 11 2.74656779e+00 1.75498451e+00 5.57510435e+00 12 -2.06837128e+00 7.92259132e-01 -1.75099432e+00 13 -3.05767054e+00 3.55570536e+00 -9.07611690e-01 14 -9.73882043e+00 2.35869468e+00 8.29711975e+00 15 1.38748789e+00 -2.59787325e+00 1.50052117e+00 16 1.18214530e+01 1.60023831e+00 -1.31652374e+01 17 -2.21992270e+00 2.65449088e-01 1.66276377e+00 18 6.65353288e-01 -1.81192225e+00 -1.66192556e+00 19 -3.88330748e-01 4.49869576e-01 1.79003617e+00 20 -2.30299873e+00 -4.62738251e+00 3.05721123e+00 21 -4.95673593e+00 -1.18073666e+00 -5.54017675e+00 22 5.95665209e+00 -1.68056844e+00 1.75581349e+00 23 3.00247407e+00 1.30872044e+00 -2.97483873e+00 24 -4.73114853e+00 3.23444773e+00 6.20640786e+00 25 -8.08082490e-01 2.08562752e+00 -5.10250486e+00 26 -5.81845489e+00 -5.85511277e+00 -2.73997390e+00 27 5.65813849e+00 1.54382693e+00 5.74537893e-01 28 -6.51918031e-01 2.01856319e+00 6.22233439e-01 29 -1.54419370e+00 9.46281489e-01 1.48799378e+00 30 5.00505181e-01 2.59836392e+00 -1.33148869e+00 31 -6.34320247e-01 -1.91723600e+00 1.56301692e+00 32 -2.95836425e-01 -2.38264352e-01 -5.44488531e-01 MIXED STRUCTURE (pbc=True)-- Species = C Cu (Configuration in file "config-T-CCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -50.719584585432955 Forces: 1 -3.32925606e+00 8.32048359e-01 -2.31584465e+00 2 -7.18556198e+00 -3.28294452e+00 3.25901451e+00 3 5.75221177e-01 -1.84401424e+00 3.62559947e+00 4 8.07209476e+00 1.31729620e+00 -3.67213799e+00 5 2.89046302e+00 1.27283276e-01 -4.62957940e+00 6 3.70950205e+00 -3.17891303e+00 3.98380486e-01 7 -1.51190818e+00 -2.14258977e-01 -6.86313955e-01 8 2.29139864e-01 2.84419166e-01 2.46122503e+00 9 1.44194517e+00 3.76923826e+00 3.69416884e+00 10 1.97865792e+00 -2.86242574e+00 1.33023509e+00 11 2.78854725e+00 1.83674586e+00 5.62904836e+00 12 -2.18804100e+00 8.51845578e-01 -1.85130876e+00 13 -1.88062162e+00 4.01713930e+00 1.43794698e-01 14 -9.52130008e+00 2.25257820e+00 8.58526761e+00 15 1.35052864e+00 -2.43143721e+00 1.34084643e+00 16 1.19869832e+01 1.06467729e+00 -1.33456905e+01 17 -1.16617688e+00 -3.42176379e-01 3.57388203e+00 18 9.73117807e-01 -1.98909191e+00 -1.72350720e+00 19 1.02448987e+00 -5.05876942e+00 5.02652738e+00 20 -1.41650499e+00 -5.39289814e+00 3.44828645e+00 21 -3.88168407e+00 4.46087609e-01 -7.61248841e+00 22 5.92779687e+00 -1.68955659e+00 1.78013971e+00 23 2.89270141e+00 1.36746152e+00 -2.97344263e+00 24 -3.82553935e+00 4.21534571e+00 6.01316314e+00 25 1.28376350e+00 1.02851101e+00 -7.45478576e+00 26 -6.06959805e+00 -6.26318949e+00 -3.32019797e+00 27 4.53000279e+00 1.72590094e-02 -7.12015757e-01 28 -6.80446647e-01 5.22355563e+00 -1.60143826e+00 29 -1.41413795e+00 8.84753935e-01 1.63207110e+00 30 3.97133326e-01 2.79068126e+00 -1.72880342e+00 31 -4.19483133e+00 -1.37096445e+00 2.51530684e+00 32 -3.78648042e+00 3.59371291e+00 -8.29402470e-01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2020-04-05 21:22:43) ===