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_WeiZhouLi_2019_BeO__MO_344044439515_001 Supported species : Be O random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Be (Configuration in file "config-F-Be.xyz") ----------------------------------------------------------------------------------------------------- Energy = -66.06502039499193 Forces: 1 -7.34472903e-01 -1.57533039e+00 -1.96022012e+00 2 -1.12088697e+00 1.39986795e+00 -4.74520775e-01 3 1.76452646e+00 -1.13163325e+00 -6.10481763e-01 4 -4.58798098e-01 1.87771159e+00 1.68277652e+00 5 4.43051399e-01 -1.32821698e+00 2.17085396e-01 6 4.09345803e-01 7.08896392e-01 -4.24098112e-01 7 9.50945014e-01 -3.57091817e+00 -3.31684558e+00 8 -2.51351888e+00 -2.68394608e+00 -1.11296484e-01 9 1.28800712e-01 -1.09190282e+00 -1.13868039e+00 10 -1.46266918e+00 1.43924796e+00 -2.42957429e+00 11 -8.14352172e-01 -1.73462123e+00 3.77632456e-01 12 -8.06148167e-01 1.33478205e+00 7.99403985e-01 13 -1.30880455e+00 -1.76041458e+00 -4.73875336e+00 14 1.16124795e+00 9.73545485e-01 -8.14507300e-01 15 4.56810986e+00 -3.59802129e-02 1.48763172e+00 16 1.14354129e+00 3.42786040e+00 1.76209828e+00 17 -1.21755835e+00 -3.76859450e-01 -6.12234320e-01 18 -7.06646414e-02 2.09473672e+00 -2.14087769e+00 19 4.78342065e-01 -1.33320337e+00 1.67293805e+00 20 -2.82363625e-01 1.01739118e+00 5.26768071e-01 21 -1.64743109e+00 -1.74691716e+00 1.24280030e-01 22 1.96208831e+00 3.39222428e+00 2.36203194e+00 23 4.19019246e-01 -3.44658998e-01 1.14583770e+00 24 9.97585231e-01 7.66420898e-01 1.28207590e+00 25 -1.40805926e+00 -9.61420198e-01 8.86553539e-01 26 -1.10471825e+00 2.52536091e+00 -1.33716456e+00 27 1.70711948e+00 -4.54553822e+00 1.09752994e+00 28 -3.52336677e+00 2.90647098e+00 6.44288730e-01 29 -1.58649295e+00 -8.34718126e-01 1.28929541e+00 30 1.06504496e+00 1.07736694e+00 -6.86167773e-02 31 1.60061167e+00 -1.10391448e+00 1.19939039e+00 32 1.26092641e+00 1.21830996e+00 1.62025347e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Be (Configuration in file "config-T-Be.xyz") ----------------------------------------------------------------------------------------------------- Energy = -66.06502039499193 Forces: 1 -7.34472903e-01 -1.57533039e+00 -1.96022012e+00 2 -1.12088697e+00 1.39986795e+00 -4.74520775e-01 3 1.76452646e+00 -1.13163325e+00 -6.10481763e-01 4 -4.58798098e-01 1.87771159e+00 1.68277652e+00 5 4.43051399e-01 -1.32821698e+00 2.17085396e-01 6 4.09345803e-01 7.08896392e-01 -4.24098112e-01 7 9.50945014e-01 -3.57091817e+00 -3.31684558e+00 8 -2.51351888e+00 -2.68394608e+00 -1.11296484e-01 9 1.28800712e-01 -1.09190282e+00 -1.13868039e+00 10 -1.46266918e+00 1.43924796e+00 -2.42957429e+00 11 -8.14352172e-01 -1.73462123e+00 3.77632456e-01 12 -8.06148167e-01 1.33478205e+00 7.99403985e-01 13 -1.30880455e+00 -1.76041458e+00 -4.73875336e+00 14 1.16124795e+00 9.73545485e-01 -8.14507300e-01 15 4.56810986e+00 -3.59802129e-02 1.48763172e+00 16 1.14354129e+00 3.42786040e+00 1.76209828e+00 17 -1.21755835e+00 -3.76859450e-01 -6.12234320e-01 18 -7.06646414e-02 2.09473672e+00 -2.14087769e+00 19 4.78342065e-01 -1.33320337e+00 1.67293805e+00 20 -2.82363625e-01 1.01739118e+00 5.26768071e-01 21 -1.64743109e+00 -1.74691716e+00 1.24280030e-01 22 1.96208831e+00 3.39222428e+00 2.36203194e+00 23 4.19019246e-01 -3.44658998e-01 1.14583770e+00 24 9.97585231e-01 7.66420898e-01 1.28207590e+00 25 -1.40805926e+00 -9.61420198e-01 8.86553539e-01 26 -1.10471825e+00 2.52536091e+00 -1.33716456e+00 27 1.70711948e+00 -4.54553822e+00 1.09752994e+00 28 -3.52336677e+00 2.90647098e+00 6.44288730e-01 29 -1.58649295e+00 -8.34718126e-01 1.28929541e+00 30 1.06504496e+00 1.07736694e+00 -6.86167773e-02 31 1.60061167e+00 -1.10391448e+00 1.19939039e+00 32 1.26092641e+00 1.21830996e+00 1.62025347e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = O (Configuration in file "config-F-O.xyz") ----------------------------------------------------------------------------------------------------- Energy = 178.75932815115803 Forces: 1 -3.94462199e+00 -3.20856479e+00 -2.14179727e+00 2 8.63333627e-01 5.19198392e+00 -6.68607009e+00 3 1.03273878e+00 -8.92637193e+00 -2.43772919e+00 4 -1.38589756e+01 1.27419824e+00 -1.54694670e+00 5 1.84423078e+00 -3.29303894e+00 -3.84951214e+00 6 3.98177920e+00 -1.53276066e+00 -4.75636064e+00 7 2.91084421e+00 -4.62132221e+00 1.65904463e+00 8 -2.93234692e+00 -5.55300671e+00 7.45007303e+00 9 3.58937257e+00 -6.10220900e+00 2.97659898e+00 10 2.59443693e+00 5.91755088e+00 -5.64506238e+00 11 -3.27723103e+00 4.14640538e+00 -9.79633642e+00 12 -2.41996550e+00 4.27040995e+00 4.18700401e+00 13 8.34265921e+00 6.84648326e+00 -1.01158036e+01 14 9.10156200e-01 -3.67286896e+00 -6.53223639e-01 15 -4.05520262e-01 1.13019641e+01 6.96168313e+00 16 -1.32660153e+01 -1.01818710e+01 5.56125658e+00 17 -2.71294596e+00 -6.34118241e+00 -1.18832935e+00 18 -2.44979214e+00 -2.70846200e+00 6.17156061e+00 19 -6.25985364e+00 -7.84715738e-01 2.83430710e+00 20 -1.59452919e+00 -7.95488161e-01 5.50605861e+00 21 5.30901548e+00 -3.10626114e+00 -5.02550052e+00 22 7.36897084e+00 9.77642013e-02 -4.95319090e+00 23 -1.06460760e+00 1.52510814e+00 2.23801567e+00 24 4.81294298e+00 -6.04506579e+00 8.81459116e+00 25 -7.48590500e+00 -1.88380168e+00 -2.85953679e-01 26 -1.36466365e+00 9.76522151e+00 -4.13583686e+00 27 -3.47995552e+00 3.96925043e+00 1.08839722e+01 28 4.17312821e+00 7.76413830e-01 6.38046279e-01 29 6.83253027e+00 9.75724615e+00 -8.94106500e+00 30 7.72195320e+00 1.49242963e+00 -3.08624815e+00 31 6.07245786e+00 1.57462540e+00 5.29861971e+00 32 -1.84362109e+00 8.49936152e-01 4.06413481e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = O (Configuration in file "config-T-O.xyz") ----------------------------------------------------------------------------------------------------- Energy = 178.75932815115803 Forces: 1 -3.94462199e+00 -3.20856479e+00 -2.14179727e+00 2 8.63333627e-01 5.19198392e+00 -6.68607009e+00 3 1.03273878e+00 -8.92637193e+00 -2.43772919e+00 4 -1.38589756e+01 1.27419824e+00 -1.54694670e+00 5 1.84423078e+00 -3.29303894e+00 -3.84951214e+00 6 3.98177920e+00 -1.53276066e+00 -4.75636064e+00 7 2.91084421e+00 -4.62132221e+00 1.65904463e+00 8 -2.93234692e+00 -5.55300671e+00 7.45007303e+00 9 3.58937257e+00 -6.10220900e+00 2.97659898e+00 10 2.59443693e+00 5.91755088e+00 -5.64506238e+00 11 -3.27723103e+00 4.14640538e+00 -9.79633642e+00 12 -2.41996550e+00 4.27040995e+00 4.18700401e+00 13 8.34265921e+00 6.84648326e+00 -1.01158036e+01 14 9.10156200e-01 -3.67286896e+00 -6.53223639e-01 15 -4.05520262e-01 1.13019641e+01 6.96168313e+00 16 -1.32660153e+01 -1.01818710e+01 5.56125658e+00 17 -2.71294596e+00 -6.34118241e+00 -1.18832935e+00 18 -2.44979214e+00 -2.70846200e+00 6.17156061e+00 19 -6.25985364e+00 -7.84715738e-01 2.83430710e+00 20 -1.59452919e+00 -7.95488161e-01 5.50605861e+00 21 5.30901548e+00 -3.10626114e+00 -5.02550052e+00 22 7.36897084e+00 9.77642013e-02 -4.95319090e+00 23 -1.06460760e+00 1.52510814e+00 2.23801567e+00 24 4.81294298e+00 -6.04506579e+00 8.81459116e+00 25 -7.48590500e+00 -1.88380168e+00 -2.85953679e-01 26 -1.36466365e+00 9.76522151e+00 -4.13583686e+00 27 -3.47995552e+00 3.96925043e+00 1.08839722e+01 28 4.17312821e+00 7.76413830e-01 6.38046279e-01 29 6.83253027e+00 9.75724615e+00 -8.94106500e+00 30 7.72195320e+00 1.49242963e+00 -3.08624815e+00 31 6.07245786e+00 1.57462540e+00 5.29861971e+00 32 -1.84362109e+00 8.49936152e-01 4.06413481e+00 MIXED STRUCTURE (pbc=False)-- Species = Be O (Configuration in file "config-F-BeO.xyz") ----------------------------------------------------------------------------------------------------- Energy = 13.931979491072381 Forces: 1 -1.04224227e+00 -3.51889970e+00 1.65169311e-01 2 2.68097275e+00 -5.03605451e+00 -4.49848231e+00 3 6.83059403e-02 3.65862056e+00 -1.10858420e+01 4 -3.23260823e+00 3.31005932e+00 1.52195557e+00 5 -1.69224885e-01 4.10532124e-01 2.45419080e-03 6 1.38461208e+00 -2.23735700e+00 -5.07767353e-01 7 4.67209577e-01 -7.77478493e-01 7.13372295e-01 8 -2.74124793e+00 3.19172932e-01 -5.82033009e+00 9 -8.15944708e-01 -2.75630965e+00 -1.04675215e+00 10 2.14522005e+00 1.54113345e+00 -2.95452801e-01 11 2.92504995e+00 1.57407205e+00 -1.33359897e+00 12 -1.59563721e-01 3.37915774e-01 1.33349952e+00 13 -1.02707536e+00 5.54986056e-01 -2.49694533e+00 14 1.05490644e+00 1.18781471e+00 -2.73455975e+00 15 -2.45901627e+00 3.99274112e+00 2.97074729e+00 16 2.12691382e+00 3.10339244e-01 -8.70376395e-01 17 -1.70793533e+00 -1.64651348e+00 7.92243234e-01 18 3.27637617e+00 -7.89927675e+00 1.14507326e+00 19 -2.06040441e+00 -5.90751649e+00 2.37277747e+00 20 2.04405254e+00 -1.82242323e+00 7.47320690e-01 21 -3.59818475e+00 1.17541661e+01 4.31977632e+00 22 4.79059664e-01 8.38331047e-01 -5.49215749e+00 23 3.65792211e+00 -2.93841635e+00 8.12313336e+00 24 7.11459642e-03 -1.44070577e+00 -5.80403580e-01 25 -1.16888993e+00 2.72584249e+00 3.34183792e+00 26 -2.42557204e+00 5.19054877e+00 -4.05117126e+00 27 2.42973840e+00 -4.52933312e-01 8.93187155e+00 28 -5.70910341e+00 3.16785138e+00 1.88740857e+00 29 2.08796424e+00 -3.59862849e+00 1.68601164e+00 30 6.78207979e-01 1.19419322e+00 -2.10182492e+00 31 -3.49319271e-01 -9.62203978e-01 1.59514326e+00 32 1.15270619e+00 -1.07360315e+00 1.26586899e+00 MIXED STRUCTURE (pbc=True)-- Species = Be O (Configuration in file "config-T-BeO.xyz") ----------------------------------------------------------------------------------------------------- Energy = 13.168107450061509 Forces: 1 7.45176239e+00 1.98016932e+00 5.84913083e+00 2 4.16325851e-01 -2.35739180e+00 -1.63498215e+00 3 -2.81086400e+00 6.57912107e+00 -1.07647348e+01 4 -3.05684645e+00 2.78214297e+00 -7.98656804e-01 5 -2.00127622e+00 3.16367689e+00 4.57567468e+00 6 -1.46351033e+00 2.22755797e+00 5.40126217e-01 7 -1.51956734e+00 -2.99134009e+00 -2.98905140e-01 8 1.43091644e-01 7.31655050e-01 -3.79565832e+00 9 -1.29769988e+00 -1.48664095e+00 -1.03569064e+00 10 1.66505882e+00 -2.97707628e+00 -9.89349277e-01 11 5.58791033e+00 2.90349472e+00 5.26822417e-01 12 2.84517866e+00 -1.29266593e+00 8.40653406e-01 13 -3.48986798e-01 -1.20563171e+00 -1.72079489e+00 14 -1.53334819e+00 -4.34887376e+00 3.56610959e-01 15 -4.14810724e+00 4.44281100e+00 -9.47353209e-01 16 1.78657217e+00 -8.96261907e-02 -2.84162349e+00 17 -3.12310448e+00 9.91182917e-02 1.93851818e+00 18 8.74511948e-01 -8.01514555e+00 2.65236853e+00 19 1.57258325e+00 -4.85221565e+00 -3.17073080e+00 20 1.50969749e+00 -5.46967583e+00 -4.04863107e-01 21 -3.05629470e-01 9.21411387e+00 3.54230244e+00 22 1.76290314e+00 9.09440110e-01 -5.67585011e+00 23 -9.64245897e-01 2.69982949e+00 1.50079649e-02 24 5.86286781e-01 -1.75037291e+00 2.06317954e+00 25 -6.51060556e-01 3.59663336e+00 2.89751262e+00 26 -4.59061101e+00 4.98468610e-01 -3.18533189e+00 27 1.04222207e+00 -3.55732391e-01 6.07840060e+00 28 -2.81749879e+00 -2.25513757e+00 -6.25965029e-01 29 1.30130101e+00 -5.08029200e+00 2.26582641e+00 30 1.00993170e+00 2.14316275e+00 -4.83436333e-01 31 3.18873113e-01 -8.32571270e-01 4.71319763e+00 32 7.58146284e-01 1.38899441e+00 -4.81406419e-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) ===