Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:19:39) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WangOhLee_2020_CuMo__MO_486450342170_001 Supported species : Cu Mo 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 = 7.489464804304859 Forces: 1 -7.64672439e-01 -7.04805254e+00 -7.91470939e+00 2 -7.17519561e+00 9.14457574e+00 -3.06775360e+00 3 5.26928173e+00 -2.66189477e+00 -1.87162820e+00 4 -4.52445080e+00 5.19227950e+00 5.40281877e+00 5 4.90766400e+00 -1.39717822e+01 -1.64898205e+00 6 4.30146226e+00 4.86743102e+00 -3.55772787e+00 7 1.09045154e+01 -2.11234286e+01 -2.42635060e+01 8 -1.90806121e+01 -4.96813831e+00 -4.29260413e+00 9 -1.05358524e+01 -5.63991857e+00 -1.29721215e+01 10 -7.29680346e+00 1.98156097e+01 -1.75188954e+01 11 -3.69534468e+00 -1.60137863e+01 1.50306359e+01 12 -7.32928069e+00 1.13090323e+01 3.10946711e+00 13 -2.52831434e+00 -1.13722567e+01 -3.46467262e+01 14 4.83568047e+00 7.40917331e+00 -5.08466292e+00 15 3.14294825e+01 -9.42793898e+00 1.04661272e+01 16 5.20587857e+00 2.15611981e+01 1.14651713e+01 17 -1.18275086e+01 -6.97734308e+00 -5.09173999e+00 18 -3.35318036e+00 1.28091850e+01 -2.22737203e+01 19 3.01982727e+00 -1.63744271e+01 1.09497460e+01 20 -6.74440140e+00 7.57427067e+00 7.87930023e+00 21 -1.96108066e+01 -1.28348306e+01 1.25866422e+01 22 2.08180449e+01 1.75147052e+01 1.35985159e+01 23 5.69001815e+00 -1.01545250e+00 6.55565662e+00 24 1.40463954e+01 3.74185613e+00 1.34524971e+01 25 -3.30782859e+00 -7.93495817e+00 -7.48911436e-01 26 -3.40246028e+00 9.30939068e+00 -9.78513819e+00 27 1.39011180e+01 -2.66479771e+01 5.50529925e+00 28 -2.83710743e+01 2.41522866e+01 1.05500603e+01 29 -7.78172879e+00 -6.79181488e+00 4.71148367e+00 30 6.21573269e+00 9.24982667e+00 3.23426975e+00 31 1.04769506e+01 -6.21671148e+00 6.37474353e+00 32 6.30746362e+00 1.33698912e+01 1.38663926e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464804304859 Forces: 1 -7.64672439e-01 -7.04805254e+00 -7.91470939e+00 2 -7.17519561e+00 9.14457574e+00 -3.06775360e+00 3 5.26928173e+00 -2.66189477e+00 -1.87162820e+00 4 -4.52445080e+00 5.19227950e+00 5.40281877e+00 5 4.90766400e+00 -1.39717822e+01 -1.64898205e+00 6 4.30146226e+00 4.86743102e+00 -3.55772787e+00 7 1.09045154e+01 -2.11234286e+01 -2.42635060e+01 8 -1.90806121e+01 -4.96813831e+00 -4.29260413e+00 9 -1.05358524e+01 -5.63991857e+00 -1.29721215e+01 10 -7.29680346e+00 1.98156097e+01 -1.75188954e+01 11 -3.69534468e+00 -1.60137863e+01 1.50306359e+01 12 -7.32928069e+00 1.13090323e+01 3.10946711e+00 13 -2.52831434e+00 -1.13722567e+01 -3.46467262e+01 14 4.83568047e+00 7.40917331e+00 -5.08466292e+00 15 3.14294825e+01 -9.42793898e+00 1.04661272e+01 16 5.20587857e+00 2.15611981e+01 1.14651713e+01 17 -1.18275086e+01 -6.97734308e+00 -5.09173999e+00 18 -3.35318036e+00 1.28091850e+01 -2.22737203e+01 19 3.01982727e+00 -1.63744271e+01 1.09497460e+01 20 -6.74440140e+00 7.57427067e+00 7.87930023e+00 21 -1.96108066e+01 -1.28348306e+01 1.25866422e+01 22 2.08180449e+01 1.75147052e+01 1.35985159e+01 23 5.69001815e+00 -1.01545250e+00 6.55565662e+00 24 1.40463954e+01 3.74185613e+00 1.34524971e+01 25 -3.30782859e+00 -7.93495817e+00 -7.48911436e-01 26 -3.40246028e+00 9.30939068e+00 -9.78513819e+00 27 1.39011180e+01 -2.66479771e+01 5.50529925e+00 28 -2.83710743e+01 2.41522866e+01 1.05500603e+01 29 -7.78172879e+00 -6.79181488e+00 4.71148367e+00 30 6.21573269e+00 9.24982667e+00 3.23426975e+00 31 1.04769506e+01 -6.21671148e+00 6.37474353e+00 32 6.30746362e+00 1.33698912e+01 1.38663926e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mo (Configuration in file "config-F-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 601.4740102655988 Forces: 1 -2.99275895e-01 -4.06828938e+00 1.75676170e+00 2 -3.35610235e+01 -5.56425883e+01 -8.66174961e+01 3 -5.79633185e+01 -5.34546370e+01 -1.01380068e+02 4 -8.87777677e+01 -2.46298896e+01 -2.33438270e+01 5 -4.66333085e+01 -5.17737236e+01 -6.55229508e+01 6 5.42751280e+01 2.15763342e+01 -6.17236537e+01 7 5.62260245e+01 -5.45344030e+01 6.77778889e+01 8 5.47833314e+01 -2.00982933e+00 -8.24742870e-01 9 -7.95170251e+01 -4.88853033e+01 -7.80756978e+01 10 -4.28609310e+01 1.30326314e+02 -3.45132730e+01 11 -6.72498168e+01 1.99874733e+01 -5.65858615e+01 12 -6.75967921e+01 8.25771385e+01 3.76467221e+01 13 1.05907508e+02 -4.67698201e+01 -9.79778719e+01 14 2.44436959e+01 4.19216379e+00 -1.46722569e+00 15 2.88742142e+01 6.89631897e+01 -4.58643303e+01 16 1.28312318e+02 1.05587614e+02 -6.12107134e+01 17 -7.59628144e+01 -5.70484407e+01 1.63014753e+01 18 -3.33777434e+01 -1.17427095e+02 5.29478071e+01 19 -2.56958178e+01 -3.20083229e+00 1.01662398e+02 20 -3.11014141e+01 -7.58005036e+00 3.70466819e+01 21 1.42712331e+02 -6.40490542e+01 8.87448501e+00 22 3.64403782e+01 -4.24982561e+01 6.41021270e+01 23 2.26338623e+00 3.06658123e-01 -1.44377537e-01 24 1.01182186e+02 -5.98862913e+01 5.68296511e+01 25 -1.19388517e+02 6.58787871e+01 2.08631873e+01 26 -8.42627903e+01 1.14945771e+02 8.53365778e+01 27 -6.90817808e+01 5.41178376e+01 1.06273120e+02 28 -1.56826098e+01 8.27645730e+00 9.00631075e+00 29 1.55737372e+02 -3.17257285e+01 2.26130454e+00 30 1.76972370e+01 3.96193582e+01 -4.86673268e+01 31 2.55126158e+01 -2.94942906e+01 6.34342040e+01 32 4.64502039e+00 3.83234259e+01 3.17987141e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mo (Configuration in file "config-T-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 601.4740102655988 Forces: 1 -2.99275895e-01 -4.06828938e+00 1.75676170e+00 2 -3.35610235e+01 -5.56425883e+01 -8.66174961e+01 3 -5.79633185e+01 -5.34546370e+01 -1.01380068e+02 4 -8.87777677e+01 -2.46298896e+01 -2.33438270e+01 5 -4.66333085e+01 -5.17737236e+01 -6.55229508e+01 6 5.42751280e+01 2.15763342e+01 -6.17236537e+01 7 5.62260245e+01 -5.45344030e+01 6.77778889e+01 8 5.47833314e+01 -2.00982933e+00 -8.24742870e-01 9 -7.95170251e+01 -4.88853033e+01 -7.80756978e+01 10 -4.28609310e+01 1.30326314e+02 -3.45132730e+01 11 -6.72498168e+01 1.99874733e+01 -5.65858615e+01 12 -6.75967921e+01 8.25771385e+01 3.76467221e+01 13 1.05907508e+02 -4.67698201e+01 -9.79778719e+01 14 2.44436959e+01 4.19216379e+00 -1.46722569e+00 15 2.88742142e+01 6.89631897e+01 -4.58643303e+01 16 1.28312318e+02 1.05587614e+02 -6.12107134e+01 17 -7.59628144e+01 -5.70484407e+01 1.63014753e+01 18 -3.33777434e+01 -1.17427095e+02 5.29478071e+01 19 -2.56958178e+01 -3.20083229e+00 1.01662398e+02 20 -3.11014141e+01 -7.58005036e+00 3.70466819e+01 21 1.42712331e+02 -6.40490542e+01 8.87448501e+00 22 3.64403782e+01 -4.24982561e+01 6.41021270e+01 23 2.26338623e+00 3.06658123e-01 -1.44377537e-01 24 1.01182186e+02 -5.98862913e+01 5.68296511e+01 25 -1.19388517e+02 6.58787871e+01 2.08631873e+01 26 -8.42627903e+01 1.14945771e+02 8.53365778e+01 27 -6.90817808e+01 5.41178376e+01 1.06273120e+02 28 -1.56826098e+01 8.27645730e+00 9.00631075e+00 29 1.55737372e+02 -3.17257285e+01 2.26130454e+00 30 1.76972370e+01 3.96193582e+01 -4.86673268e+01 31 2.55126158e+01 -2.94942906e+01 6.34342040e+01 32 4.64502039e+00 3.83234259e+01 3.17987141e+01 MIXED STRUCTURE (pbc=False)-- Species = Cu Mo (Configuration in file "config-F-CuMo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 717.9129384234678 Forces: 1 -6.35657625e+01 -3.90525342e+01 -5.98331916e+01 2 2.57891125e+01 1.95791226e+01 -1.28250151e+02 3 7.69290876e+01 -1.53860032e+02 -6.04917384e+01 4 -2.28037062e+02 8.12971372e+01 -8.02207218e+01 5 -8.43698877e-01 -3.50742153e+01 -3.30242101e+01 6 5.38090456e+01 -3.90596387e+01 -2.58986504e+01 7 1.87060301e+01 -4.35888473e+01 -4.97918922e+00 8 2.46605132e+02 1.84984320e+01 -1.37278370e+02 9 -3.03095967e+01 -3.23385589e+01 -2.34389793e+01 10 -1.37464015e+01 5.17284740e+01 -3.88304373e+01 11 -6.68528822e+01 1.52678282e+02 -2.62793626e+01 12 -2.08864320e+01 3.28123449e+00 -1.16492380e+01 13 -5.18211671e+01 -2.61129734e+00 -4.68369431e+01 14 3.12049435e+01 4.23975363e+01 -9.18083381e-01 15 2.21253114e+01 1.14762851e+01 8.68038828e+00 16 3.14521324e+01 2.62036830e+01 4.71339145e+01 17 -1.53573614e+02 -1.35797194e+02 1.08435084e+02 18 -2.07305447e+01 4.94324427e+01 2.03413073e+02 19 1.09723456e+00 -6.32749764e+01 8.05492368e+01 20 -1.13297183e+02 -1.15581962e+02 1.11347155e+02 21 3.25843923e+01 -1.65899053e+02 -2.24474117e+01 22 1.16644234e+02 8.71789911e+01 -8.26009493e+01 23 6.80956192e+01 -9.26504230e+01 6.48009481e+01 24 -8.70348446e+01 4.70378178e+01 1.06984912e+02 25 -2.36507778e+01 5.64631523e+01 -1.07741394e+02 26 -8.50144130e+01 2.12391327e+01 -1.62315541e+02 27 9.88574491e+01 5.94822862e+01 2.68678279e+01 28 -6.68285815e+01 4.71526396e+01 6.46634578e+01 29 2.47846773e+01 1.03138977e+02 6.30199246e+01 30 3.81610269e+00 1.76552369e+01 -3.27928995e+00 31 1.89261195e+01 1.55985378e+01 2.22371431e+01 32 1.54766338e+02 7.26933033e+00 1.48180789e+02 MIXED STRUCTURE (pbc=True)-- Species = Cu Mo (Configuration in file "config-T-CuMo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1005.2376082068126 Forces: 1 -9.13861823e+01 -1.08403033e+01 -1.79727270e+01 2 5.06599338e+01 2.92831250e+01 -1.28172309e+02 3 1.24453055e+02 -1.45300192e+02 -7.87876667e+01 4 -2.71114267e+02 1.76220920e+02 -1.65431086e+02 5 6.69126496e+01 4.76663638e+01 6.30701252e+00 6 1.35810127e+02 -1.52016035e+02 2.30870989e+01 7 -3.82956546e+01 -4.85695020e+01 -1.24042687e+00 8 2.56479273e+02 -1.60880490e+01 -1.38673822e+02 9 -3.06755356e+01 -5.48181585e+01 5.33120963e+01 10 -1.85487404e+01 -5.79100434e+01 1.85421804e+01 11 -6.16669094e+01 1.59690283e+02 -2.87760703e+01 12 5.66301622e+01 1.91398786e+01 -3.42455237e+01 13 -1.72150586e+02 9.22818705e+01 -1.74818626e+01 14 5.26564778e+01 7.00407312e+01 6.74943734e+00 15 -4.63484092e+01 -5.46951955e+01 -2.04672413e+01 16 4.48702549e+01 1.22627795e+01 5.17479569e+01 17 -1.77761539e+02 -1.69704771e+02 2.07505386e+02 18 2.57598326e+01 1.09404619e+02 2.41413705e+02 19 -6.69024583e+00 8.29884020e+01 6.19778495e+01 20 -5.99512091e+01 -1.30170912e+02 6.42244022e+01 21 4.23220801e+01 -1.57749285e+02 -4.38306793e+01 22 9.53000911e+01 1.27256724e+02 -1.57079826e+02 23 7.51042635e+01 -1.42984633e+02 9.70782591e+01 24 -1.66579643e+02 5.20305527e+01 1.02724386e+02 25 -4.97173445e+00 6.83810434e+01 -1.16978324e+02 26 -7.65202093e+01 -7.15234603e+01 -1.86438136e+02 27 1.09173282e+02 6.90360196e+01 9.78392682e+00 28 -2.82535525e+00 6.78645482e+01 4.57905818e+01 29 2.41430073e+01 1.02955559e+02 6.87239555e+01 30 -9.96849480e+01 -2.85689629e+00 -4.12080666e+01 31 -3.20547595e+01 1.77239151e+01 -1.49322647e+01 32 1.96951439e+02 -8.89998987e+01 1.32747798e+02 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2022-11-29 19:20:39) ===