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_NouranianTschoppGwaltney_2014_CH__MO_354152387712_001 Supported species : C H 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 = -163.49031709690513 Forces: 1 -1.78652769e+00 -7.25799597e-01 -9.00613352e+00 2 1.03508218e+00 9.62346944e+00 -8.60618615e+00 3 3.74598472e+00 7.66669624e-01 -4.23266494e+00 4 1.37377380e+01 -2.59112314e+00 3.45938653e+00 5 -6.78394388e+00 2.71555113e+00 7.50030505e+00 6 -3.33094885e+00 -2.13891897e+00 1.42274692e+00 7 -9.84128565e-01 3.92186678e+00 -1.20896220e-01 8 -7.66057680e+00 6.03806202e+00 1.41647853e+00 9 2.14144415e+00 -1.27052578e+01 5.57595226e+00 10 5.54727272e-01 -1.03917759e+01 -1.07595761e+00 11 1.21319811e+01 1.14668900e+01 5.48256094e-01 12 6.78045013e+00 -5.84549937e+00 -1.02611486e+00 13 1.98875857e+00 1.79962142e+01 -1.27525879e+01 14 -1.42991596e+01 -5.96372172e+00 -6.85329807e+00 15 -1.27113399e+00 -1.17325864e+01 1.33031173e+01 16 -5.15019426e+00 6.84172878e-02 1.41480635e+01 17 9.02868267e+00 1.10077784e+01 5.28710319e+00 18 -1.93261712e+01 -4.67477570e-01 8.76102105e+00 19 9.05886759e-01 2.15415385e+00 -9.00035520e+00 20 3.74494724e+00 -4.11681682e+00 -2.84482659e+00 21 3.04720316e+00 -3.87494642e-01 2.03241536e+01 22 5.51822789e+00 7.42403110e+00 -9.25055938e+00 23 -1.82387294e+01 -7.05992091e+00 -5.22078457e+00 24 2.78804512e+00 4.87123062e+00 -1.84548262e+00 25 6.40948668e-01 2.51473125e+00 6.45752231e+00 26 4.17166418e+00 -8.41448868e-01 -3.86444397e+00 27 7.16469190e+00 -2.42423472e-01 4.02485690e+00 28 1.32633807e+00 -8.29859637e+00 -1.35558928e+01 29 1.22476360e+01 7.93213427e+00 2.82251092e+00 30 -8.76620373e+00 -7.91107018e+00 -3.03266333e-01 31 -2.48511529e+00 -3.31463827e+00 -2.60782987e+00 32 -2.61760447e+00 -3.76663004e+00 -2.88419359e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -163.49031709690513 Forces: 1 -1.78652769e+00 -7.25799597e-01 -9.00613352e+00 2 1.03508218e+00 9.62346944e+00 -8.60618615e+00 3 3.74598472e+00 7.66669624e-01 -4.23266494e+00 4 1.37377380e+01 -2.59112314e+00 3.45938653e+00 5 -6.78394388e+00 2.71555113e+00 7.50030505e+00 6 -3.33094885e+00 -2.13891897e+00 1.42274692e+00 7 -9.84128565e-01 3.92186678e+00 -1.20896220e-01 8 -7.66057680e+00 6.03806202e+00 1.41647853e+00 9 2.14144415e+00 -1.27052578e+01 5.57595226e+00 10 5.54727272e-01 -1.03917759e+01 -1.07595761e+00 11 1.21319811e+01 1.14668900e+01 5.48256094e-01 12 6.78045013e+00 -5.84549937e+00 -1.02611486e+00 13 1.98875857e+00 1.79962142e+01 -1.27525879e+01 14 -1.42991596e+01 -5.96372172e+00 -6.85329807e+00 15 -1.27113399e+00 -1.17325864e+01 1.33031173e+01 16 -5.15019426e+00 6.84172878e-02 1.41480635e+01 17 9.02868267e+00 1.10077784e+01 5.28710319e+00 18 -1.93261712e+01 -4.67477570e-01 8.76102105e+00 19 9.05886759e-01 2.15415385e+00 -9.00035520e+00 20 3.74494724e+00 -4.11681682e+00 -2.84482659e+00 21 3.04720316e+00 -3.87494642e-01 2.03241536e+01 22 5.51822789e+00 7.42403110e+00 -9.25055938e+00 23 -1.82387294e+01 -7.05992091e+00 -5.22078457e+00 24 2.78804512e+00 4.87123062e+00 -1.84548262e+00 25 6.40948668e-01 2.51473125e+00 6.45752231e+00 26 4.17166418e+00 -8.41448868e-01 -3.86444397e+00 27 7.16469190e+00 -2.42423472e-01 4.02485690e+00 28 1.32633807e+00 -8.29859637e+00 -1.35558928e+01 29 1.22476360e+01 7.93213427e+00 2.82251092e+00 30 -8.76620373e+00 -7.91107018e+00 -3.03266333e-01 31 -2.48511529e+00 -3.31463827e+00 -2.60782987e+00 32 -2.61760447e+00 -3.76663004e+00 -2.88419359e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = H (Configuration in file "config-F-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -31.18218672992282 Forces: 1 5.33457331e-01 5.58763673e-01 6.86315202e-01 2 8.54004853e-01 -3.87550103e-01 1.16429431e+00 3 8.89676018e-02 1.43657840e+00 -2.22659373e-01 4 1.22428061e+00 -8.49612914e-01 6.21276947e-01 5 -4.28257345e-01 1.58173096e+00 1.39431274e+00 6 -1.04056992e+00 5.36977592e-01 1.07074800e+00 7 -1.18722783e+00 8.43190857e-01 4.10444720e-01 8 -4.30086281e-01 -5.40816926e-01 -6.65489161e-01 9 1.40772064e+00 8.19078227e-01 1.07200811e+00 10 -3.09507167e-01 -1.36026605e+00 1.32511415e+00 11 -3.98005174e-01 7.13199027e-01 -9.24382263e-01 12 1.23935632e+00 -1.85274865e+00 -4.42339599e-01 13 8.48136563e-02 2.10143534e-01 8.96720100e-01 14 -6.87243239e-01 -1.12750055e+00 1.17134527e+00 15 -1.40099243e+00 5.12257879e-01 -5.53068116e-01 16 3.77128137e-01 -1.74152946e+00 -4.76651093e-02 17 7.85789107e-01 1.17305974e+00 -6.81940240e-01 18 -6.96185997e-01 2.98765168e-02 3.50319481e-01 19 -1.30314967e-01 1.06982100e+00 -9.28748277e-01 20 1.43571031e+00 1.07935648e+00 -1.19431911e+00 21 1.30202336e+00 1.34514646e+00 -5.07726810e-01 22 -1.80047589e+00 -1.31241583e+00 2.35083538e-02 23 -3.89056040e-01 5.09973441e-01 -4.85917282e-01 24 2.63966024e-01 5.67328367e-01 -8.88071175e-01 25 1.45836733e+00 -3.12573284e-01 1.40644422e+00 26 -2.49565671e-01 -1.13871616e+00 3.03136767e-01 27 -1.25648500e+00 -2.39683636e-01 -1.76918609e+00 28 1.02505004e+00 -1.16357967e+00 -9.23529641e-01 29 2.34098836e-01 7.31389402e-01 -1.32515195e-01 30 -1.25853810e+00 -7.99553851e-01 4.84793025e-01 31 -1.35088531e+00 1.68369565e-01 -1.05392190e+00 32 6.98662209e-01 -1.05969404e+00 -9.59302049e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = H (Configuration in file "config-T-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -31.18218672992282 Forces: 1 5.33457331e-01 5.58763673e-01 6.86315202e-01 2 8.54004853e-01 -3.87550103e-01 1.16429431e+00 3 8.89676018e-02 1.43657840e+00 -2.22659373e-01 4 1.22428061e+00 -8.49612914e-01 6.21276947e-01 5 -4.28257345e-01 1.58173096e+00 1.39431274e+00 6 -1.04056992e+00 5.36977592e-01 1.07074800e+00 7 -1.18722783e+00 8.43190857e-01 4.10444720e-01 8 -4.30086281e-01 -5.40816926e-01 -6.65489161e-01 9 1.40772064e+00 8.19078227e-01 1.07200811e+00 10 -3.09507167e-01 -1.36026605e+00 1.32511415e+00 11 -3.98005174e-01 7.13199027e-01 -9.24382263e-01 12 1.23935632e+00 -1.85274865e+00 -4.42339599e-01 13 8.48136563e-02 2.10143534e-01 8.96720100e-01 14 -6.87243239e-01 -1.12750055e+00 1.17134527e+00 15 -1.40099243e+00 5.12257879e-01 -5.53068116e-01 16 3.77128137e-01 -1.74152946e+00 -4.76651093e-02 17 7.85789107e-01 1.17305974e+00 -6.81940240e-01 18 -6.96185997e-01 2.98765168e-02 3.50319481e-01 19 -1.30314967e-01 1.06982100e+00 -9.28748277e-01 20 1.43571031e+00 1.07935648e+00 -1.19431911e+00 21 1.30202336e+00 1.34514646e+00 -5.07726810e-01 22 -1.80047589e+00 -1.31241583e+00 2.35083538e-02 23 -3.89056040e-01 5.09973441e-01 -4.85917282e-01 24 2.63966024e-01 5.67328367e-01 -8.88071175e-01 25 1.45836733e+00 -3.12573284e-01 1.40644422e+00 26 -2.49565671e-01 -1.13871616e+00 3.03136767e-01 27 -1.25648500e+00 -2.39683636e-01 -1.76918609e+00 28 1.02505004e+00 -1.16357967e+00 -9.23529641e-01 29 2.34098836e-01 7.31389402e-01 -1.32515195e-01 30 -1.25853810e+00 -7.99553851e-01 4.84793025e-01 31 -1.35088531e+00 1.68369565e-01 -1.05392190e+00 32 6.98662209e-01 -1.05969404e+00 -9.59302049e-01 MIXED STRUCTURE (pbc=False)-- Species = C H (Configuration in file "config-F-CH.xyz") ----------------------------------------------------------------------------------------------------- Energy = -103.1908833963036 Forces: 1 -3.07507593e+00 -1.97885484e+00 -5.08893790e+00 2 5.53998863e+00 1.48793904e+01 -1.29310110e+01 3 7.48048986e+00 -1.54667665e+01 1.21179311e+01 4 -2.95073462e+00 7.23661250e+00 -2.00239631e-01 5 -8.79823254e+00 -1.23690286e+00 1.14540293e+01 6 -4.89737809e+00 -1.57024924e+00 -1.07466191e+00 7 1.67843254e+00 -2.70586928e+00 -1.43492288e+00 8 -3.27899546e+00 5.75030628e+00 5.02595584e+00 9 5.99957602e-01 -6.68242321e-01 6.15594272e-01 10 1.27176402e+00 -6.24198013e-01 7.58608619e-01 11 -3.67456220e+00 -1.44523222e+00 1.05831440e+00 12 -2.12543851e+00 1.16978834e+00 -8.97019295e-01 13 -2.28191804e-01 -6.83598952e-01 -1.95405560e+00 14 1.04957474e-01 -3.12959941e+00 3.43258004e+00 15 1.69330918e+00 1.22848177e+00 -3.63843332e+00 16 -4.18622996e+00 8.28348333e-01 2.52767620e+00 17 6.71980236e+00 -1.95862003e+00 -1.16724083e+01 18 2.29936247e+00 1.25184735e+00 1.05370674e+00 19 2.10365072e+00 -2.78603225e+00 1.03537962e+00 20 -2.32926583e+00 2.36757629e+00 1.12467992e-01 21 3.37912840e+00 1.27678717e+01 -1.31319092e+00 22 -1.33420667e+01 -7.55851017e+00 -1.40227703e+00 23 4.41272477e+00 -5.82517484e-01 8.96105330e+00 24 4.57394643e+00 -2.86766952e+00 -5.06911839e+00 25 6.51143276e+00 -1.88264797e+00 -3.17252158e+00 26 9.49561521e+00 9.02188960e+00 7.86307704e+00 27 -2.52015134e+00 -9.01124771e+00 8.07580447e+00 28 -9.73558524e-01 8.69374713e-01 -9.33417119e-01 29 1.29333352e+00 -6.03587333e+00 -4.76972910e-02 30 -1.84480046e+00 4.07002586e-02 5.70713103e-01 31 -7.34960318e-01 2.50762402e-01 -6.55235117e-01 32 -4.19825368e+00 4.52968204e+00 -1.31777447e+01 MIXED STRUCTURE (pbc=True)-- Species = C H (Configuration in file "config-T-CH.xyz") ----------------------------------------------------------------------------------------------------- Energy = -116.2573986379585 Forces: 1 -3.10202893e+00 -5.27856350e+00 -6.17640716e+00 2 -1.15724750e+01 3.42918902e+01 3.67303683e+00 3 1.07299893e+01 -1.94667367e+01 1.65217790e+01 4 5.17958729e-02 4.31861826e+00 3.96170524e-01 5 4.35186618e+00 -5.72192768e+00 -4.57987262e+00 6 -1.87022168e+01 3.35642018e+00 2.28882057e+00 7 1.01933165e+00 -4.29085753e+00 -2.63284620e+00 8 -3.54650957e+00 5.50677293e+00 4.15478704e+00 9 1.92961193e+01 7.18256324e+00 -7.82172779e-01 10 -3.95774366e-01 -9.00032448e-01 1.35376006e-01 11 -8.22385913e-01 -1.19351414e+00 1.67665454e+00 12 -3.21429367e+00 2.40776338e+00 -4.62086637e+00 13 -5.18006299e-01 -8.57890166e-01 -2.27254864e+00 14 -4.71956055e-01 -9.64885434e-01 1.69268864e+00 15 -7.58511259e+00 -1.36066984e+01 -9.57201758e+00 16 -3.79986265e+00 3.74414800e+00 9.06163039e-01 17 2.83932314e+00 -5.07155113e-01 -1.01242371e+01 18 1.57907943e+00 2.73498557e+00 1.90300299e-02 19 1.16721475e+00 -5.84276888e+00 1.38583697e+00 20 -2.49651313e+00 4.36179351e+00 -1.09922580e+00 21 1.06378739e+00 7.24373899e+00 6.18202165e-01 22 -7.38872077e+00 -3.83666359e+00 3.94749744e-01 23 3.36180873e+00 5.37023995e-01 9.54271944e+00 24 1.21820370e+01 -1.88717057e+01 -5.65963115e+00 25 2.44113697e+00 -4.66821042e+00 -2.59339967e-02 26 1.21856410e+01 1.71950083e+01 4.45661688e+00 27 -2.41348525e+00 -8.98433172e+00 7.84302163e+00 28 -2.19893655e+00 2.91975123e-01 -4.27394312e-02 29 1.38489215e+00 -5.80002103e+00 2.25526551e-03 30 -5.50603357e-01 -3.21206201e-01 3.31873707e+00 31 -8.05032188e-01 -1.77101571e-01 6.69061534e-01 32 -4.07010984e+00 8.11756841e+00 -1.21072081e+01 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 19:20:20) ===