Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:32) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 Supported species : Al Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 505.31420789550066 Forces: 1 -3.31421682e+01 -3.54724657e+01 -5.36731144e+01 2 -3.24666322e+01 4.81096680e+01 -3.33012925e+01 3 1.15367070e+01 -2.74584498e+01 3.76927191e+01 4 -2.14499969e+01 2.96124485e+01 2.21807500e+01 5 1.42602418e+01 -7.58865262e+01 -2.12024760e+01 6 4.63639180e+01 2.38992359e+01 -4.55953524e+01 7 1.94522016e+01 -1.46729454e+02 -1.28566621e+02 8 -8.31533009e+01 -8.09060778e+01 2.24258824e+01 9 -1.07377002e+01 -7.07941426e+01 -7.46183711e+01 10 -1.93361004e+01 5.34359361e+01 -7.70355475e+01 11 2.39880389e+01 -5.68124767e+01 -7.84692088e+01 12 -5.06930183e+01 7.45545396e+01 5.64443802e+01 13 -6.62135868e+01 -3.12837417e+01 -2.01865126e+02 14 3.00435725e+01 3.55437157e+01 -1.92858514e+01 15 1.94337796e+02 1.43088831e+01 7.13317426e+01 16 3.92385771e+01 1.27791539e+02 6.42694867e+01 17 -5.46853035e+01 -4.00745682e+01 -3.15526781e+01 18 2.14876632e+01 3.67798082e+01 -3.64486387e+01 19 2.53802663e+01 -5.93774506e+01 4.52282362e+01 20 -3.03508605e+01 3.17440099e+01 3.87061101e+01 21 -5.60253070e+01 -4.93454767e+01 2.15262187e+01 22 8.48028581e+01 1.23126605e+02 1.19785010e+02 23 1.85649386e+01 -7.50121852e+00 2.46062260e+01 24 1.47519460e+01 2.32257178e+01 3.87816483e+01 25 -1.17255302e+02 -4.41077081e+00 5.76337631e+01 26 -2.94681596e+01 9.23860357e+01 -3.20318757e+01 27 8.17599106e+01 -1.71623951e+02 4.79333861e+01 28 -1.45614695e+02 1.27399096e+02 1.92862016e+01 29 -1.32944760e+01 -5.44652801e+01 3.03488249e+01 30 3.03792771e+01 5.07383304e+01 -7.44705636e+00 31 6.69889396e+01 -4.29426725e+01 5.74077629e+01 32 4.05497542e+01 6.24291535e+01 6.55048608e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 505.31420789550066 Forces: 1 -3.31421682e+01 -3.54724657e+01 -5.36731144e+01 2 -3.24666322e+01 4.81096680e+01 -3.33012925e+01 3 1.15367070e+01 -2.74584498e+01 3.76927191e+01 4 -2.14499969e+01 2.96124485e+01 2.21807500e+01 5 1.42602418e+01 -7.58865262e+01 -2.12024760e+01 6 4.63639180e+01 2.38992359e+01 -4.55953524e+01 7 1.94522016e+01 -1.46729454e+02 -1.28566621e+02 8 -8.31533009e+01 -8.09060778e+01 2.24258824e+01 9 -1.07377002e+01 -7.07941426e+01 -7.46183711e+01 10 -1.93361004e+01 5.34359361e+01 -7.70355475e+01 11 2.39880389e+01 -5.68124767e+01 -7.84692088e+01 12 -5.06930183e+01 7.45545396e+01 5.64443802e+01 13 -6.62135868e+01 -3.12837417e+01 -2.01865126e+02 14 3.00435725e+01 3.55437157e+01 -1.92858514e+01 15 1.94337796e+02 1.43088831e+01 7.13317426e+01 16 3.92385771e+01 1.27791539e+02 6.42694867e+01 17 -5.46853035e+01 -4.00745682e+01 -3.15526781e+01 18 2.14876632e+01 3.67798082e+01 -3.64486387e+01 19 2.53802663e+01 -5.93774506e+01 4.52282362e+01 20 -3.03508605e+01 3.17440099e+01 3.87061101e+01 21 -5.60253070e+01 -4.93454767e+01 2.15262187e+01 22 8.48028581e+01 1.23126605e+02 1.19785010e+02 23 1.85649386e+01 -7.50121852e+00 2.46062260e+01 24 1.47519460e+01 2.32257178e+01 3.87816483e+01 25 -1.17255302e+02 -4.41077081e+00 5.76337631e+01 26 -2.94681596e+01 9.23860357e+01 -3.20318757e+01 27 8.17599106e+01 -1.71623951e+02 4.79333861e+01 28 -1.45614695e+02 1.27399096e+02 1.92862016e+01 29 -1.32944760e+01 -5.44652801e+01 3.03488249e+01 30 3.03792771e+01 5.07383304e+01 -7.44705636e+00 31 6.69889396e+01 -4.29426725e+01 5.74077629e+01 32 4.05497542e+01 6.24291535e+01 6.55048608e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -58.50149355616728 Forces: 1 -4.73151693e+00 -2.22960024e+00 -3.77602622e+00 2 -1.09923441e+01 2.17488893e+00 -4.69759059e+00 3 -6.68453719e+00 -2.53957582e+01 -1.67767833e+01 4 -5.06818405e+00 -6.58968138e+00 -7.85981192e+00 5 4.59020128e+00 -1.04797661e+01 2.47015923e-01 6 2.35749243e+00 3.28601635e+00 2.84170530e-01 7 -7.40494605e-01 8.29297521e-01 -1.31419880e-01 8 2.32357711e+01 5.24008640e+00 -1.40921827e+01 9 -5.16008886e+00 -5.34086366e+00 -1.00334169e+00 10 1.23053777e-01 7.09828298e+00 -5.38551575e+00 11 4.17932243e+00 -7.79830165e+00 -5.59070413e+00 12 -1.69033798e+01 9.39618964e+00 -5.09371254e+00 13 8.24759931e+00 4.02860321e+00 -3.19287282e+00 14 4.61063576e-01 -2.45252317e-01 3.31290493e-01 15 -5.19121818e-01 6.10184623e+00 -1.20364117e+01 16 1.43796668e+01 2.49868510e+00 -5.42987085e+00 17 -1.75683506e+01 -5.97548354e+00 -1.61793001e+01 18 -1.10962616e+01 1.93073409e+01 3.65385887e+01 19 1.74632310e+01 -1.34314583e+00 1.73972444e+01 20 -2.76949823e+00 3.73655977e+00 5.05485786e+00 21 7.08753708e+00 -4.91183988e+00 1.99213509e+00 22 7.85668802e-01 -1.00532087e+01 7.59416969e+00 23 -1.38761786e-01 3.53811037e-01 -8.50874434e-01 24 3.86044280e+00 -8.08822206e+00 3.32698658e+00 25 -2.27490796e+00 2.61251718e+00 3.79828371e+00 26 -3.30239254e+00 1.03886688e+01 1.63349656e+01 27 -2.98589919e+01 -2.65992361e+00 2.56424375e+01 28 3.21658526e-03 3.94653373e+00 3.46788149e+00 29 2.84064361e+01 -6.39359483e-01 -2.73708543e+01 30 2.92852163e-01 2.33239255e+00 7.21282884e-01 31 7.62820026e-01 2.08594163e+00 8.01694172e-01 32 1.57245677e+00 6.33274456e+00 5.93426844e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -58.50149355616728 Forces: 1 -4.73151693e+00 -2.22960024e+00 -3.77602622e+00 2 -1.09923441e+01 2.17488893e+00 -4.69759059e+00 3 -6.68453719e+00 -2.53957582e+01 -1.67767833e+01 4 -5.06818405e+00 -6.58968138e+00 -7.85981192e+00 5 4.59020128e+00 -1.04797661e+01 2.47015923e-01 6 2.35749243e+00 3.28601635e+00 2.84170530e-01 7 -7.40494605e-01 8.29297521e-01 -1.31419880e-01 8 2.32357711e+01 5.24008640e+00 -1.40921827e+01 9 -5.16008886e+00 -5.34086366e+00 -1.00334169e+00 10 1.23053777e-01 7.09828298e+00 -5.38551575e+00 11 4.17932243e+00 -7.79830165e+00 -5.59070413e+00 12 -1.69033798e+01 9.39618964e+00 -5.09371254e+00 13 8.24759931e+00 4.02860321e+00 -3.19287282e+00 14 4.61063576e-01 -2.45252317e-01 3.31290493e-01 15 -5.19121818e-01 6.10184623e+00 -1.20364117e+01 16 1.43796668e+01 2.49868510e+00 -5.42987085e+00 17 -1.75683506e+01 -5.97548354e+00 -1.61793001e+01 18 -1.10962616e+01 1.93073409e+01 3.65385887e+01 19 1.74632310e+01 -1.34314583e+00 1.73972444e+01 20 -2.76949823e+00 3.73655977e+00 5.05485786e+00 21 7.08753708e+00 -4.91183988e+00 1.99213509e+00 22 7.85668802e-01 -1.00532087e+01 7.59416969e+00 23 -1.38761786e-01 3.53811037e-01 -8.50874434e-01 24 3.86044280e+00 -8.08822206e+00 3.32698658e+00 25 -2.27490796e+00 2.61251718e+00 3.79828371e+00 26 -3.30239254e+00 1.03886688e+01 1.63349656e+01 27 -2.98589919e+01 -2.65992361e+00 2.56424375e+01 28 3.21658526e-03 3.94653373e+00 3.46788149e+00 29 2.84064361e+01 -6.39359483e-01 -2.73708543e+01 30 2.92852163e-01 2.33239255e+00 7.21282884e-01 31 7.62820026e-01 2.08594163e+00 8.01694172e-01 32 1.57245677e+00 6.33274456e+00 5.93426844e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Ni (Configuration in file "config-F-AlNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 252.19305663625286 Forces: 1 -1.20595573e+01 -1.30866902e+01 -1.13680752e+01 2 5.61265746e+01 -9.52011196e+01 -1.37153351e+02 3 -5.66426518e+00 -1.67494468e+01 1.99762945e+01 4 -1.62387012e+02 -1.49236525e+02 -1.34967274e+02 5 2.41500913e+01 -1.45463145e+01 -2.16206732e+01 6 1.27950687e+00 3.04934566e+00 -4.31478735e+01 7 4.06897434e+00 -2.48698089e+01 2.41763132e+01 8 -1.64003273e+01 -2.32943382e+01 -2.48146774e+01 9 -6.14416661e+01 -1.14704441e+01 -5.67126065e+01 10 1.73478789e+01 6.70339940e+01 -5.68327963e+01 11 8.29706240e+01 1.29664116e+02 1.05546302e+02 12 -3.12768459e+01 2.23653397e+01 2.85652097e+01 13 4.37840087e-01 -3.31683657e+01 -4.70965187e+01 14 2.24494551e+01 9.15099575e+00 -1.45293851e+01 15 1.47166031e+01 2.20331543e+01 7.85511109e+00 16 4.00209671e+00 3.04799106e+01 5.30724657e+01 17 -1.64609235e+01 -3.26099131e+01 5.75909606e+00 18 1.04714956e+02 -1.93977260e+01 7.02753739e+01 19 -2.10998109e+01 -1.54993712e+01 2.85388136e+01 20 -1.02253830e+01 6.77609451e+00 7.21660580e+00 21 1.24718024e+01 -8.23709730e+01 -6.11474093e+01 22 4.90923469e+01 -1.63092535e+01 6.92114606e+00 23 3.67192857e+01 -1.33605658e+01 2.87488862e+01 24 8.94751453e+00 5.87620049e+01 3.95981153e+01 25 -9.59124805e+01 1.30672008e+02 9.74027892e+01 26 -2.19471273e+00 1.70810767e+01 -2.45179350e+00 27 3.75042560e+01 -1.46878602e+00 5.21382063e+01 28 -1.86431484e+01 1.56060566e+01 9.84439481e+00 29 -2.89684876e+01 4.58115699e+01 1.67208453e+01 30 1.25894492e+01 2.94426640e+00 -1.49299962e+01 31 4.48681285e+00 -3.43895567e-01 7.33412203e+00 32 -1.13414485e+01 1.55360443e+00 1.70823396e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Ni (Configuration in file "config-T-AlNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 282.06745841666293 Forces: 1 5.25009550e+00 -3.46522188e+00 3.52814971e+00 2 5.62033084e+01 -9.66526638e+01 -1.28800670e+02 3 -6.75245153e+00 -1.33303403e+01 2.02947463e+01 4 -1.45522441e+02 -1.48240872e+02 -1.33708992e+02 5 3.09267488e+01 -1.52903348e+01 -8.68827970e+00 6 -1.32981241e+01 2.85135874e+01 -2.39619800e+01 7 -2.04721346e+00 -2.45280379e+01 2.72088656e+01 8 -1.72441746e+01 -2.25988911e+01 -2.39034857e+01 9 -5.73572196e+01 -1.22844234e+01 -5.69302970e+01 10 3.26207031e+01 4.95305103e+01 -4.77231003e+01 11 8.18833697e+01 1.29996685e+02 1.04504612e+02 12 -2.39307768e+01 2.02666785e+01 3.39864090e+01 13 -7.61883534e-01 -3.26405888e+01 -4.72264681e+01 14 1.41550159e+00 -4.60799583e+00 -7.60434743e+00 15 1.09646300e+01 2.22341961e+01 7.82372802e+00 16 5.24959223e+00 2.98676490e+01 5.23146065e+01 17 -1.88349836e+01 -3.06600349e+01 5.71383523e+00 18 1.03662340e+02 -1.94207435e+01 6.98599357e+01 19 -2.52716385e+01 -1.83980260e+01 1.25696496e+01 20 -5.86490025e+00 1.76161372e+01 -6.29762006e+00 21 3.25212759e+01 -4.03516275e+01 -5.36661784e+01 22 3.35069814e+01 -2.16093115e+01 1.24520853e+01 23 2.77679866e+01 -1.32852085e+01 3.12726506e+00 24 9.79378929e+00 5.91781145e+01 3.65646178e+01 25 -8.50135447e+01 1.36642744e+02 9.52279055e+01 26 -2.31092693e+01 -2.36920159e+01 -1.07073115e+01 27 3.63153789e+01 4.83090436e-01 4.51795791e+01 28 -8.23993996e+00 1.73900367e+01 -6.42816025e+00 29 -3.04194275e+01 4.52213797e+01 1.65249585e+01 30 1.32652534e+01 1.94276449e+00 -1.75974255e+01 31 -2.16900372e+00 -8.25960372e+00 8.63715077e+00 32 -1.55099625e+01 -9.56763153e+00 1.77262163e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1397797== Memcheck, a memory error detector ==1397797== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1397797== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1397797== Command: python runner2.py EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 ==1397797== ==1399342== Warning: invalid file descriptor 1024 in syscall close() ==1399342== Warning: invalid file descriptor 1025 in syscall close() ==1399342== Warning: invalid file descriptor 1026 in syscall close() ==1399342== Warning: invalid file descriptor 1027 in syscall close() ==1399342== Use --log-fd= to select an alternative log fd. ==1399342== Warning: invalid file descriptor 1028 in syscall close() ==1399342== Warning: invalid file descriptor 1029 in syscall close() ==1397797== ==1397797== HEAP SUMMARY: ==1397797== in use at exit: 2,257,767 bytes in 1,704 blocks ==1397797== total heap usage: 82,926 allocs, 81,222 frees, 172,969,717 bytes allocated ==1397797== ==1397797== LEAK SUMMARY: ==1397797== definitely lost: 0 bytes in 0 blocks ==1397797== indirectly lost: 0 bytes in 0 blocks ==1397797== possibly lost: 180,827 bytes in 103 blocks ==1397797== still reachable: 2,076,908 bytes in 1,600 blocks ==1397797== of which reachable via heuristic: ==1397797== stdstring : 38 bytes in 1 blocks ==1397797== suppressed: 32 bytes in 1 blocks ==1397797== Rerun with --leak-check=full to see details of leaked memory ==1397797== ==1397797== For lists of detected and suppressed errors, rerun with: -s ==1397797== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 8024 from 589) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected. === Verification check vc-memory-leak end (2022-11-30 10:17:15) ===