Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:07:28) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MEAM_Wagner_2007_SiC__SM_264944083668_000 Supported species : C Si 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 = 1707.7593062764352 Forces: 1 2.02324983e+02 -1.02759580e+02 -3.92670800e+02 2 -6.05782217e+02 2.05289153e+02 -1.48031411e+02 3 2.41278618e+00 -3.07545743e+02 3.51204246e+02 4 -1.31019081e+02 4.50206288e+02 2.37171334e+02 5 4.76305192e+02 -4.79426138e+01 1.56466005e+02 6 -2.99150307e+02 2.06807822e+02 1.65199149e+02 7 3.24408905e+02 -9.12458509e+02 -2.87212335e+02 8 -2.49889736e+03 -3.30960445e+03 1.12513816e+03 9 9.55967748e+00 -1.19039823e+02 4.71811295e-02 10 -1.75987519e+02 6.83359956e+01 -9.16837603e+00 11 3.88944364e+02 -2.56031230e+02 -1.03031870e+02 12 -4.63741030e+01 4.33636115e+01 4.05024621e+01 13 -6.22458343e+02 -1.02286750e+03 1.25378119e+02 14 1.12451595e+03 7.81112400e+02 7.95439157e+00 15 1.93447909e+03 4.10753159e+03 -6.32952616e+02 16 1.64773956e+02 -6.30914666e+01 1.63366399e+01 17 -4.69193186e+03 3.24905077e+03 6.61608268e+02 18 2.58331609e+02 5.62759703e+01 -5.37537443e+01 19 7.31708486e+03 -1.82469700e+03 1.96429423e+03 20 -2.64050621e+03 -1.35915730e+03 -2.93205754e+03 21 -4.41095973e+02 -4.56400099e+02 -1.32714879e+03 22 -7.05627054e+02 6.20447039e+02 -2.54530049e+02 23 -1.68810975e+02 7.34157294e+02 8.48284455e+02 24 5.89143863e+02 -2.73631257e+02 5.09062274e+02 25 -5.49344774e+03 6.01056720e+03 2.04353228e+03 26 -5.35220557e+01 -1.41707122e+00 5.37993614e+01 27 1.06138524e+04 -4.65503386e+03 8.05987155e+03 28 -5.12078942e+03 -1.41361352e+03 -1.00111493e+04 29 2.47471353e+02 -8.41098907e+01 -8.54347531e+00 30 5.43629444e+01 -1.02400216e+02 -4.27842107e+02 31 2.24622156e+01 -2.41588943e+02 1.69410469e+02 32 -3.50339545e+01 2.02449415e+01 5.28318343e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1707.7593062764352 Forces: 1 2.02324983e+02 -1.02759580e+02 -3.92670800e+02 2 -6.05782217e+02 2.05289153e+02 -1.48031411e+02 3 2.41278618e+00 -3.07545743e+02 3.51204246e+02 4 -1.31019081e+02 4.50206288e+02 2.37171334e+02 5 4.76305192e+02 -4.79426138e+01 1.56466005e+02 6 -2.99150307e+02 2.06807822e+02 1.65199149e+02 7 3.24408905e+02 -9.12458509e+02 -2.87212335e+02 8 -2.49889736e+03 -3.30960445e+03 1.12513816e+03 9 9.55967748e+00 -1.19039823e+02 4.71811295e-02 10 -1.75987519e+02 6.83359956e+01 -9.16837603e+00 11 3.88944364e+02 -2.56031230e+02 -1.03031870e+02 12 -4.63741030e+01 4.33636115e+01 4.05024621e+01 13 -6.22458343e+02 -1.02286750e+03 1.25378119e+02 14 1.12451595e+03 7.81112400e+02 7.95439157e+00 15 1.93447909e+03 4.10753159e+03 -6.32952616e+02 16 1.64773956e+02 -6.30914666e+01 1.63366399e+01 17 -4.69193186e+03 3.24905077e+03 6.61608268e+02 18 2.58331609e+02 5.62759703e+01 -5.37537443e+01 19 7.31708486e+03 -1.82469700e+03 1.96429423e+03 20 -2.64050621e+03 -1.35915730e+03 -2.93205754e+03 21 -4.41095973e+02 -4.56400099e+02 -1.32714879e+03 22 -7.05627054e+02 6.20447039e+02 -2.54530049e+02 23 -1.68810975e+02 7.34157294e+02 8.48284455e+02 24 5.89143863e+02 -2.73631257e+02 5.09062274e+02 25 -5.49344774e+03 6.01056720e+03 2.04353228e+03 26 -5.35220557e+01 -1.41707122e+00 5.37993614e+01 27 1.06138524e+04 -4.65503386e+03 8.05987155e+03 28 -5.12078942e+03 -1.41361352e+03 -1.00111493e+04 29 2.47471353e+02 -8.41098907e+01 -8.54347531e+00 30 5.43629444e+01 -1.02400216e+02 -4.27842107e+02 31 2.24622156e+01 -2.41588943e+02 1.69410469e+02 32 -3.50339545e+01 2.02449415e+01 5.28318343e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1048.3788544251297 Forces: 1 -1.49819903e+01 -3.53151683e+00 -3.28486811e+01 2 3.09573383e+01 -9.39097413e+01 -9.56608647e+01 3 7.03428485e+01 -8.37745473e+01 2.32004305e+01 4 -1.05114597e+02 5.44618969e+01 -7.72671226e+01 5 -4.15180590e+01 -7.87776925e+01 1.59783790e+01 6 6.89215355e+01 2.23757807e+02 -5.52002624e+01 7 3.52193566e+01 -6.41574313e+01 -8.41717737e+01 8 -1.00692544e+02 -7.71990011e+01 1.05233743e+02 9 -5.83719949e+01 7.42897522e+01 1.07787240e+02 10 -8.83001801e+01 1.55814589e+02 6.51900897e+01 11 -2.52206097e+02 2.44438177e+01 1.73952971e+02 12 2.74893639e+00 -5.75505249e+01 -6.15610057e+01 13 2.35800680e+02 -4.16421611e+02 -8.06038601e+01 14 2.22329153e+02 2.00596182e+02 -8.09657686e+01 15 1.23162159e+02 4.62037432e+02 6.44444415e+01 16 4.06856176e+02 8.52631001e+01 -7.94794434e+02 17 -6.84711769e+01 -1.87475740e+02 4.46505315e+01 18 1.24721537e+02 1.40609517e+02 -1.94277498e+02 19 4.03418082e+02 -1.28707995e+02 -9.09359393e+00 20 -1.54718966e+02 2.06343879e+02 2.61194945e+01 21 -2.68580252e+02 -1.81930371e+02 9.04550778e+01 22 1.37150345e+02 1.36224828e+02 -4.26012349e+01 23 6.54487570e+01 -5.54019355e+01 1.13337370e+02 24 -9.42705113e+01 -1.75360426e+02 2.02625231e+02 25 -1.79912040e+02 1.29993811e+02 -1.12759718e+01 26 -3.30470929e+02 -1.10644329e+02 6.29598770e+02 27 -4.58025703e+01 6.78031391e+01 4.65163250e+00 28 7.43973198e+01 -4.99903852e+00 4.07112086e+01 29 -5.77887937e+02 -2.21600852e+00 1.74533124e+02 30 6.18424140e+02 -1.58931929e+02 -7.92634552e+02 31 3.35338274e+01 2.26360628e+00 9.02210491e+01 32 -2.72132347e+02 -8.29135186e+01 4.40265840e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1048.3788544251297 Forces: 1 -1.49819903e+01 -3.53151683e+00 -3.28486811e+01 2 3.09573383e+01 -9.39097413e+01 -9.56608647e+01 3 7.03428485e+01 -8.37745473e+01 2.32004305e+01 4 -1.05114597e+02 5.44618969e+01 -7.72671226e+01 5 -4.15180590e+01 -7.87776925e+01 1.59783790e+01 6 6.89215355e+01 2.23757807e+02 -5.52002624e+01 7 3.52193566e+01 -6.41574313e+01 -8.41717737e+01 8 -1.00692544e+02 -7.71990011e+01 1.05233743e+02 9 -5.83719949e+01 7.42897522e+01 1.07787240e+02 10 -8.83001801e+01 1.55814589e+02 6.51900897e+01 11 -2.52206097e+02 2.44438177e+01 1.73952971e+02 12 2.74893639e+00 -5.75505249e+01 -6.15610057e+01 13 2.35800680e+02 -4.16421611e+02 -8.06038601e+01 14 2.22329153e+02 2.00596182e+02 -8.09657686e+01 15 1.23162159e+02 4.62037432e+02 6.44444415e+01 16 4.06856176e+02 8.52631001e+01 -7.94794434e+02 17 -6.84711769e+01 -1.87475740e+02 4.46505315e+01 18 1.24721537e+02 1.40609517e+02 -1.94277498e+02 19 4.03418082e+02 -1.28707995e+02 -9.09359393e+00 20 -1.54718966e+02 2.06343879e+02 2.61194945e+01 21 -2.68580252e+02 -1.81930371e+02 9.04550778e+01 22 1.37150345e+02 1.36224828e+02 -4.26012349e+01 23 6.54487570e+01 -5.54019355e+01 1.13337370e+02 24 -9.42705113e+01 -1.75360426e+02 2.02625231e+02 25 -1.79912040e+02 1.29993811e+02 -1.12759718e+01 26 -3.30470929e+02 -1.10644329e+02 6.29598770e+02 27 -4.58025703e+01 6.78031391e+01 4.65163250e+00 28 7.43973198e+01 -4.99903852e+00 4.07112086e+01 29 -5.77887937e+02 -2.21600852e+00 1.74533124e+02 30 6.18424140e+02 -1.58931929e+02 -7.92634552e+02 31 3.35338274e+01 2.26360628e+00 9.02210491e+01 32 -2.72132347e+02 -8.29135186e+01 4.40265840e+02 MIXED STRUCTURE (pbc=False)-- Species = C Si (Configuration in file "config-F-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 846.6967519510351 Forces: 1 -2.19534181e+02 -3.19515521e+02 9.22717252e+02 2 1.00047394e+03 1.00495770e+03 -6.46892037e+02 3 -3.75336759e+02 -4.39614921e+02 -2.26722319e+02 4 -3.84424485e+02 -3.14324300e+02 -9.44970522e+01 5 -5.23560700e+01 -7.89737019e+01 -1.11717133e+02 6 8.27814077e+00 1.40886699e+01 -2.92986460e+01 7 -1.71389491e+01 -8.24555695e+01 2.11512865e+02 8 -6.51295498e+01 4.07919919e+02 -9.28063273e+01 9 -4.32162535e+00 -1.46703439e+02 -7.95276644e+01 10 1.30726999e+00 1.72419738e+02 -5.91129684e+01 11 1.93583799e+01 -5.12465937e+01 3.32043792e+02 12 4.59928899e+01 -2.01715039e+01 -5.18374782e+01 13 -4.96936078e+00 1.98200290e+01 -1.17329662e+02 14 6.82751128e+01 2.88389574e+02 -2.10577963e+02 15 -1.27576398e+01 -2.86988535e+02 1.74138403e+02 16 -3.30732238e+02 6.37942141e+01 -2.98789380e+02 17 -3.31078826e+01 7.71295493e+01 9.45660114e+01 18 3.97398816e+01 1.12390500e+02 -3.90932191e+02 19 -2.36232298e+02 9.30363688e+01 2.28195513e+02 20 5.15887627e+01 -4.95076033e+02 1.26291080e+02 21 5.23988352e+01 -2.33698525e+02 5.45128879e+01 22 2.17708486e+01 -1.23242357e+01 -1.20565127e+01 23 -2.26895899e+01 -9.72760752e+00 -2.34413314e+01 24 -1.33590982e+01 -3.05749082e+01 4.59424109e+01 25 1.28296160e+01 -1.14287364e+02 -3.61379003e+02 26 -1.52819752e+02 2.16111053e+02 2.31739507e+02 27 4.79508839e+02 -2.33416211e+02 2.76661514e+02 28 -1.36211125e+02 5.05556037e+02 -1.56966998e+02 29 -6.59025847e+01 -1.21166435e+02 -9.76502951e+01 30 3.43197688e+02 4.44705497e+00 3.01544805e+02 31 7.97201137e+01 -5.62143594e+01 -9.02682714e+00 32 -9.74171314e+01 6.64193600e+01 7.06957495e+01 MIXED STRUCTURE (pbc=True)-- Species = C Si (Configuration in file "config-T-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 237.90293940284022 Forces: 1 -5.16662383e+00 1.00531448e+01 -2.47424429e+01 2 -1.59411090e+01 3.68190735e+01 -6.95254265e+01 3 1.05213860e+02 6.31414300e+01 -2.36867801e+01 4 1.07339455e+00 -1.23104709e+01 8.45224365e+00 5 -1.02608826e+01 -5.59223196e+00 -1.95677429e+01 6 -6.20869315e+00 -1.41802519e+01 1.59147439e+01 7 -1.57106958e-01 5.56594495e+00 9.67195242e+00 8 -1.89134043e+01 3.38981742e+01 -1.55134331e+01 9 -9.55579506e+00 -5.66167372e+00 1.37069167e+01 10 2.60788151e+01 -1.40593454e+01 4.20385932e+00 11 -5.52972446e+01 -1.32135174e+01 1.22535510e+02 12 3.21882217e+00 4.09220851e+00 2.46224886e+01 13 9.95674024e+00 2.13511905e+01 -8.70466984e+01 14 4.36576780e+00 1.62472886e+01 1.19668539e+01 15 6.17154677e+01 -1.70774879e+01 -2.75712368e+01 16 -3.02593806e+02 1.05070269e+02 -2.38909403e+02 17 -7.11356848e+01 -2.16529842e+01 9.32762052e+01 18 -1.84354022e+01 -1.58743984e+01 -2.11475181e+01 19 -5.36626070e+00 2.97453823e+01 7.03402583e+00 20 -1.13074585e+02 -1.25156718e+02 6.33020485e+01 21 1.75351215e+01 -1.10977282e+02 8.84674965e+01 22 -4.64718666e+00 -5.61349251e+01 -3.05624603e+01 23 -1.31715611e+01 7.74527675e+00 -1.88745564e+01 24 5.09458608e+00 -9.19010732e+00 -1.38917450e+01 25 -6.29186480e+01 8.69110034e+01 -2.32896333e+02 26 -2.37054651e+01 9.14978020e+01 3.50014672e+01 27 1.35855690e+02 7.46392570e+01 8.98932076e+01 28 -9.16676052e+01 3.70354404e+01 -5.13970533e+01 29 -4.00982748e+01 -1.32324323e+02 -4.92291041e+01 30 4.45332114e+02 -7.47516670e+01 2.11477539e+02 31 9.23324124e+01 -5.34964629e+01 8.54640329e+01 32 -3.94574523e+01 5.78409614e+01 3.95713427e+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 19:08:29) ===