!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_000 Supported species : Cr Fe W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -17.654016555509887 Forces: 1 -3.20326021e+00 -9.65045250e+00 -8.81927921e+00 2 -4.78239679e-01 3.05441970e+00 -5.48622565e+00 3 4.23672950e+00 -6.39351984e+00 1.51776138e+00 4 -6.47589136e+00 9.64556365e+00 6.39089038e+00 5 -3.36121835e+00 -8.68771024e+00 -4.33456259e+00 6 6.13146146e+00 4.23854552e+00 -6.05182401e+00 7 6.72915672e+00 -1.37285618e+01 -5.75577643e+00 8 -8.80465071e+00 -7.57178837e+00 9.36596656e-01 9 -5.72433458e+00 -3.33994121e+00 -8.41906760e+00 10 -5.10523199e+00 1.41947502e+01 -1.25675209e+01 11 -8.72826294e+00 -1.33988803e+01 4.76758559e+00 12 -6.92209084e+00 8.79472742e+00 -3.79230843e-01 13 6.88352017e+00 -8.53165091e+00 -2.50629981e+01 14 3.26783639e+00 4.15408001e+00 -2.91431903e+00 15 2.12949165e+01 3.57246353e-01 -3.93221858e+00 16 5.02546032e+00 2.18927258e+01 9.35083087e+00 17 -8.74446367e+00 -6.13497136e+00 -4.07220596e+00 18 5.08657117e+00 5.33326644e+00 -1.06738519e+00 19 4.24794492e+00 -5.88558363e+00 5.39912832e+00 20 -3.38396506e+00 5.26527684e+00 5.74438292e+00 21 -6.66992551e+00 -6.28981367e+00 3.23707633e+00 22 1.19204832e+01 8.20691249e+00 8.44944448e+00 23 2.72166620e+00 -1.48333248e+00 3.66750496e+00 24 -1.43574695e+00 2.09207685e+00 2.55881666e+00 25 -8.30070327e+00 -4.37202999e+00 6.23805982e+00 26 -1.87093891e+00 9.89602227e+00 -2.86980463e+00 27 2.17644907e+00 -1.28101685e+01 6.37330402e+00 28 -9.95037510e+00 7.00462518e+00 2.44867827e+00 29 -9.46069296e+00 -7.61120351e+00 6.29784521e+00 30 6.84486302e+00 9.44294423e+00 -1.26253953e+00 31 8.78127693e+00 -5.18372993e+00 1.08785151e+01 32 3.27165650e+00 7.50015517e+00 8.73853726e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -17.654016555509887 Forces: 1 -3.20326021e+00 -9.65045250e+00 -8.81927921e+00 2 -4.78239679e-01 3.05441970e+00 -5.48622565e+00 3 4.23672950e+00 -6.39351984e+00 1.51776138e+00 4 -6.47589136e+00 9.64556365e+00 6.39089038e+00 5 -3.36121835e+00 -8.68771024e+00 -4.33456259e+00 6 6.13146146e+00 4.23854552e+00 -6.05182401e+00 7 6.72915672e+00 -1.37285618e+01 -5.75577643e+00 8 -8.80465071e+00 -7.57178837e+00 9.36596656e-01 9 -5.72433458e+00 -3.33994121e+00 -8.41906760e+00 10 -5.10523199e+00 1.41947502e+01 -1.25675209e+01 11 -8.72826294e+00 -1.33988803e+01 4.76758559e+00 12 -6.92209084e+00 8.79472742e+00 -3.79230843e-01 13 6.88352017e+00 -8.53165091e+00 -2.50629981e+01 14 3.26783639e+00 4.15408001e+00 -2.91431903e+00 15 2.12949165e+01 3.57246353e-01 -3.93221858e+00 16 5.02546032e+00 2.18927258e+01 9.35083087e+00 17 -8.74446367e+00 -6.13497136e+00 -4.07220596e+00 18 5.08657117e+00 5.33326644e+00 -1.06738519e+00 19 4.24794492e+00 -5.88558363e+00 5.39912832e+00 20 -3.38396506e+00 5.26527684e+00 5.74438292e+00 21 -6.66992551e+00 -6.28981367e+00 3.23707633e+00 22 1.19204832e+01 8.20691249e+00 8.44944448e+00 23 2.72166620e+00 -1.48333248e+00 3.66750496e+00 24 -1.43574695e+00 2.09207685e+00 2.55881666e+00 25 -8.30070327e+00 -4.37202999e+00 6.23805982e+00 26 -1.87093891e+00 9.89602227e+00 -2.86980463e+00 27 2.17644907e+00 -1.28101685e+01 6.37330402e+00 28 -9.95037510e+00 7.00462518e+00 2.44867827e+00 29 -9.46069296e+00 -7.61120351e+00 6.29784521e+00 30 6.84486302e+00 9.44294423e+00 -1.26253953e+00 31 8.78127693e+00 -5.18372993e+00 1.08785151e+01 32 3.27165650e+00 7.50015517e+00 8.73853726e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 27.538940452897858 Forces: 1 -2.09089438e+01 -1.57919215e+01 -2.60291361e+01 2 1.16239945e+01 -1.10769575e+01 -1.64003008e+01 3 4.04133674e+01 -2.85240442e+01 4.02636532e+00 4 -2.75988369e+01 4.04906821e+01 7.09016564e+00 5 7.12376606e-01 -6.19553122e+00 -4.65379408e+00 6 4.19530533e+01 -3.39506639e+01 -1.35156385e+01 7 2.87513306e+00 -1.36575707e+00 7.01406304e-01 8 7.44956819e-01 -6.72143075e+00 1.01358668e+01 9 -3.96590473e+01 1.08964716e+01 -2.43482108e+01 10 2.62865503e+00 9.07109728e+00 -4.53898876e+00 11 2.04077311e+01 8.08390697e+00 3.20080570e+01 12 -5.13297649e-01 2.57829332e-01 9.88167714e-01 13 -3.78991750e+01 3.41401635e+01 -8.98105169e+00 14 3.44388779e-01 4.51473279e+00 -2.94902608e+00 15 1.00822167e+01 3.08244134e+00 1.15484444e+01 16 -2.86064324e+00 1.28364250e+01 -9.01630657e+00 17 -7.71446006e+00 -1.88638565e+01 1.76023797e+01 18 -8.94737689e-01 1.49124584e+01 -1.26225930e+01 19 1.49368737e+01 -2.80168472e+01 1.46617683e+01 20 -1.70964046e+01 1.12576666e+01 1.84287846e+01 21 -2.06440279e+01 -5.31144378e+01 -2.52113383e+01 22 3.89602593e+01 2.54317785e+01 -3.84978664e+01 23 1.26662912e+01 -1.34433700e+01 1.26252924e+01 24 -1.68025295e+01 3.34198402e+01 5.34231584e+01 25 -8.67484601e+00 1.41785014e+01 -1.24603320e+01 26 -9.43340749e+00 7.73533557e+00 -1.11058635e+01 27 -6.30286842e+01 -7.86355139e+01 6.72141448e+00 28 -2.73893141e+00 1.19813336e-01 1.42941969e+00 29 5.72992476e-01 -1.22558995e+01 7.30162975e+00 30 3.08699389e+00 4.78346978e+00 -6.20588168e-01 31 4.98981861e+00 -1.99858375e+00 3.66746260e+00 32 6.94688702e+01 7.47422012e+01 8.59125168e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 27.538940452897858 Forces: 1 -2.09089438e+01 -1.57919215e+01 -2.60291361e+01 2 1.16239945e+01 -1.10769575e+01 -1.64003008e+01 3 4.04133674e+01 -2.85240442e+01 4.02636532e+00 4 -2.75988369e+01 4.04906821e+01 7.09016564e+00 5 7.12376606e-01 -6.19553122e+00 -4.65379408e+00 6 4.19530533e+01 -3.39506639e+01 -1.35156385e+01 7 2.87513306e+00 -1.36575707e+00 7.01406304e-01 8 7.44956819e-01 -6.72143075e+00 1.01358668e+01 9 -3.96590473e+01 1.08964716e+01 -2.43482108e+01 10 2.62865503e+00 9.07109728e+00 -4.53898876e+00 11 2.04077311e+01 8.08390697e+00 3.20080570e+01 12 -5.13297649e-01 2.57829332e-01 9.88167714e-01 13 -3.78991750e+01 3.41401635e+01 -8.98105169e+00 14 3.44388779e-01 4.51473279e+00 -2.94902608e+00 15 1.00822167e+01 3.08244134e+00 1.15484444e+01 16 -2.86064324e+00 1.28364250e+01 -9.01630657e+00 17 -7.71446006e+00 -1.88638565e+01 1.76023797e+01 18 -8.94737689e-01 1.49124584e+01 -1.26225930e+01 19 1.49368737e+01 -2.80168472e+01 1.46617683e+01 20 -1.70964046e+01 1.12576666e+01 1.84287846e+01 21 -2.06440279e+01 -5.31144378e+01 -2.52113383e+01 22 3.89602593e+01 2.54317785e+01 -3.84978664e+01 23 1.26662912e+01 -1.34433700e+01 1.26252924e+01 24 -1.68025295e+01 3.34198402e+01 5.34231584e+01 25 -8.67484601e+00 1.41785014e+01 -1.24603320e+01 26 -9.43340749e+00 7.73533557e+00 -1.11058635e+01 27 -6.30286842e+01 -7.86355139e+01 6.72141448e+00 28 -2.73893141e+00 1.19813336e-01 1.42941969e+00 29 5.72992476e-01 -1.22558995e+01 7.30162975e+00 30 3.08699389e+00 4.78346978e+00 -6.20588168e-01 31 4.98981861e+00 -1.99858375e+00 3.66746260e+00 32 6.94688702e+01 7.47422012e+01 8.59125168e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 975.8320445942079 Forces: 1 -5.38157540e+01 -3.02754204e+01 -4.38376654e+01 2 -1.15345706e+02 1.45090332e+02 -1.53804105e+02 3 -1.02160555e+02 -1.37456210e+02 1.61633220e+02 4 -2.51414138e+02 -1.40179010e+02 -1.98593170e+02 5 1.85308098e+02 -1.36992112e+02 -1.57764066e+02 6 3.26428632e+01 -6.82759999e+01 -9.72613010e+01 7 1.40476900e+02 -9.35521778e+01 -1.44002448e+02 8 -7.34104056e+01 -7.69574729e+01 6.83206286e+01 9 -1.25957208e+02 -1.40563081e+02 -6.50456233e+00 10 7.46790539e+01 1.36817725e+02 -1.01481817e+02 11 6.32578829e+01 1.87192798e+02 -2.07665843e+02 12 -3.86185032e+01 3.68620189e+01 5.08026866e+01 13 -9.34328958e+01 -1.09881890e+02 -7.18189088e+01 14 1.28369832e+02 1.24187767e+02 -4.37874849e+01 15 1.70414479e+02 1.51900561e+02 9.07484441e+01 16 2.85447092e+01 7.40853657e+01 5.32869350e+01 17 -6.14799692e+01 -8.36463067e+01 -4.18023597e+01 18 2.57338890e+02 -2.13341894e+02 1.54191380e+02 19 3.09599044e+01 -6.83526043e+01 9.94522931e+01 20 -7.09591806e+01 -3.30266632e+01 1.57673434e+02 21 -1.60950714e+02 -8.57645756e+01 7.79967848e+01 22 1.84057816e+02 1.31274155e+02 -2.99085573e+01 23 2.53699320e+01 -8.24505368e+01 8.33603871e+01 24 -1.35333147e+02 -9.11903909e+01 1.30007241e+02 25 -3.14205014e+02 2.18368816e+02 -5.71888139e+01 26 3.92775887e+01 1.48583694e+02 -1.05713541e+02 27 1.16815714e+02 -7.77673387e+01 2.38833471e+02 28 -1.68434039e+02 8.51201233e+01 9.58665755e+01 29 5.11404095e+01 -3.89078964e+01 -1.58535105e+02 30 6.88053205e+01 6.36459996e+01 -9.42773795e+01 31 2.93682415e+02 -5.08412207e+01 5.35730306e+01 32 -1.25624579e+02 2.56293444e+02 1.98200615e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 975.8320445942079 Forces: 1 -5.38157540e+01 -3.02754204e+01 -4.38376654e+01 2 -1.15345706e+02 1.45090332e+02 -1.53804105e+02 3 -1.02160555e+02 -1.37456210e+02 1.61633220e+02 4 -2.51414138e+02 -1.40179010e+02 -1.98593170e+02 5 1.85308098e+02 -1.36992112e+02 -1.57764066e+02 6 3.26428632e+01 -6.82759999e+01 -9.72613010e+01 7 1.40476900e+02 -9.35521778e+01 -1.44002448e+02 8 -7.34104056e+01 -7.69574729e+01 6.83206286e+01 9 -1.25957208e+02 -1.40563081e+02 -6.50456233e+00 10 7.46790539e+01 1.36817725e+02 -1.01481817e+02 11 6.32578829e+01 1.87192798e+02 -2.07665843e+02 12 -3.86185032e+01 3.68620189e+01 5.08026866e+01 13 -9.34328958e+01 -1.09881890e+02 -7.18189088e+01 14 1.28369832e+02 1.24187767e+02 -4.37874849e+01 15 1.70414479e+02 1.51900561e+02 9.07484441e+01 16 2.85447092e+01 7.40853657e+01 5.32869350e+01 17 -6.14799692e+01 -8.36463067e+01 -4.18023597e+01 18 2.57338890e+02 -2.13341894e+02 1.54191380e+02 19 3.09599044e+01 -6.83526043e+01 9.94522931e+01 20 -7.09591806e+01 -3.30266632e+01 1.57673434e+02 21 -1.60950714e+02 -8.57645756e+01 7.79967848e+01 22 1.84057816e+02 1.31274155e+02 -2.99085573e+01 23 2.53699320e+01 -8.24505368e+01 8.33603871e+01 24 -1.35333147e+02 -9.11903909e+01 1.30007241e+02 25 -3.14205014e+02 2.18368816e+02 -5.71888139e+01 26 3.92775887e+01 1.48583694e+02 -1.05713541e+02 27 1.16815714e+02 -7.77673387e+01 2.38833471e+02 28 -1.68434039e+02 8.51201233e+01 9.58665755e+01 29 5.11404095e+01 -3.89078964e+01 -1.58535105e+02 30 6.88053205e+01 6.36459996e+01 -9.42773795e+01 31 2.93682415e+02 -5.08412207e+01 5.35730306e+01 32 -1.25624579e+02 2.56293444e+02 1.98200615e+02 MIXED STRUCTURE (pbc=False)-- Species = Cr Fe W (Configuration in file "config-F-CrFeW.xyz") ----------------------------------------------------------------------------------------------------- Energy = 451.68806294661607 Forces: 1 -5.13445546e+01 -3.38923901e+01 -7.49220494e+01 2 3.72760370e+01 -1.83490109e+01 -5.45813463e+01 3 1.86498852e+02 -2.34549096e+02 -8.75237397e+00 4 -2.19396386e+02 2.25440262e+02 4.39811025e+01 5 -8.11431479e+00 -9.43133546e+00 -2.51704997e+01 6 3.27132352e+01 -3.29065419e+00 -1.86196910e+01 7 3.31590126e+01 -1.02189812e+01 1.13237389e+01 8 8.18031556e+00 -1.81080844e+01 2.40523163e+01 9 -9.03484269e+01 1.59683660e+01 -6.34409561e+01 10 6.24017582e+01 7.63487682e+01 -1.05509149e+02 11 3.93672129e+01 -5.06525331e+01 1.01515170e+02 12 -9.63812584e+01 5.02120069e+01 4.86576800e+01 13 2.04783166e+01 2.60902323e+01 -7.00090909e+01 14 5.02149966e+00 3.18881923e+00 -7.93255422e+00 15 7.50042112e+01 -7.64349094e+01 3.32300008e+00 16 -7.35513806e+01 8.35299263e+01 -4.65174905e+01 17 -2.78722614e+01 -3.83433453e+01 4.29444717e+01 18 -1.40943214e+01 -2.81276891e+01 -2.71733665e+01 19 1.90002761e+01 -2.76314812e+01 7.49048130e+00 20 -1.03294642e+02 -4.45584298e+01 1.83095737e+01 21 4.15292553e+01 -3.52914137e+01 4.72391862e+01 22 2.63373331e+01 -3.85333436e+01 -3.02420280e+01 23 2.34512212e+00 -4.75283354e+00 2.35878272e+00 24 4.23352212e+00 -4.96344817e+01 2.50581452e+01 25 -5.35275791e+01 -4.09387987e+01 -3.61777425e+01 26 -7.65275419e+01 1.60016167e+02 -3.41974458e+01 27 1.06878222e+01 5.78220825e+01 1.12107293e+02 28 -2.76122905e+01 3.76477592e+01 4.92738384e+01 29 1.02032725e+02 -8.74380738e+01 -8.68611302e+01 30 4.63895027e+01 2.72613761e+01 3.86688622e+01 31 7.07271901e+01 2.44048471e+01 6.26319315e+01 32 1.86817587e+01 6.22462726e+01 5.11713394e+01 MIXED STRUCTURE (pbc=True)-- Species = Cr Fe W (Configuration in file "config-T-CrFeW.xyz") ----------------------------------------------------------------------------------------------------- Energy = 541.4774335907265 Forces: 1 -6.09710654e+01 -2.40305361e+01 -6.25602271e+01 2 4.21050217e+01 -2.69499502e+01 -2.01312407e+01 3 2.36561997e+02 -1.41186729e+02 6.86496644e+00 4 -2.08720339e+02 2.27638273e+02 4.67661874e+01 5 -7.80782562e+00 -1.55673759e+01 -1.78512398e+01 6 2.90609658e+01 -3.11669398e+01 3.82659945e+01 7 2.47043300e+01 -9.79831374e+00 1.07270737e+01 8 8.64395751e+00 -1.73340727e+01 2.55047261e+01 9 -9.72925058e+01 2.31308423e+01 -4.35311009e+01 10 6.80905992e+01 6.23359933e+01 -1.10755585e+02 11 3.97256033e+01 -5.05985771e+01 1.02634415e+02 12 -1.08831452e+02 -5.65199178e+01 6.69775238e+01 13 3.44674875e+01 4.49780368e+01 -1.41050949e+01 14 -2.89946570e+01 1.42776564e+00 -3.08649384e+01 15 6.93269586e+01 -7.79019144e+01 3.32086656e+00 16 -6.98193471e+01 7.25942004e+01 -5.16042485e+01 17 -3.13503500e+01 -2.24354466e+01 5.11844293e+01 18 -1.44567257e+01 -2.77546193e+01 -2.79012518e+01 19 3.07195624e+01 -2.44461538e+01 -8.15991673e+00 20 -7.30388702e+01 -3.82220624e+01 -1.50953782e+01 21 3.46717339e+01 6.03624757e+00 3.78092894e+01 22 1.91967979e+01 -3.79226867e+01 -3.58008677e+01 23 -1.23531025e+01 -1.71520603e+01 6.83322537e-01 24 6.06403872e+00 -5.85268768e+01 -4.72181985e+00 25 -4.38200662e+01 -3.94145447e+01 -4.33177288e+01 26 -8.24330228e+01 1.34443658e+02 -3.04354123e+01 27 -3.79803447e-01 6.51117477e+01 5.28422402e+01 28 -2.59648570e+01 3.69788190e+01 4.72134809e+01 29 1.03123601e+02 -8.64412345e+01 -8.61509219e+01 30 4.96149230e+01 1.57404513e+01 4.21430819e+01 31 4.85303045e+01 6.31997331e+01 9.37951202e+00 32 2.16261083e+01 4.97542442e+01 6.06698637e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==67710== Memcheck, a memory error detector ==67710== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==67710== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==67710== Command: python runner2.py Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_000 ==67710== ==67832== Warning: invalid file descriptor 1048564 in syscall close() ==67832== Warning: invalid file descriptor 1048565 in syscall close() ==67832== Warning: invalid file descriptor 1048566 in syscall close() ==67832== Warning: invalid file descriptor 1048567 in syscall close() ==67832== Use --log-fd= to select an alternative log fd. ==67832== Warning: invalid file descriptor 1048568 in syscall close() ==67832== Warning: invalid file descriptor 1048569 in syscall close() ==67834== Warning: invalid file descriptor 1048564 in syscall close() ==67834== Warning: invalid file descriptor 1048565 in syscall close() ==67834== Warning: invalid file descriptor 1048566 in syscall close() ==67834== Warning: invalid file descriptor 1048567 in syscall close() ==67834== Use --log-fd= to select an alternative log fd. ==67834== Warning: invalid file descriptor 1048568 in syscall close() ==67834== Warning: invalid file descriptor 1048569 in syscall close() ==67835== Warning: invalid file descriptor 1048564 in syscall close() ==67835== Warning: invalid file descriptor 1048565 in syscall close() ==67835== Warning: invalid file descriptor 1048566 in syscall close() ==67835== Warning: invalid file descriptor 1048567 in syscall close() ==67835== Use --log-fd= to select an alternative log fd. ==67835== Warning: invalid file descriptor 1048568 in syscall close() ==67835== Warning: invalid file descriptor 1048569 in syscall close() ==67836== Warning: invalid file descriptor 1048564 in syscall close() ==67836== Warning: invalid file descriptor 1048565 in syscall close() ==67836== Warning: invalid file descriptor 1048566 in syscall close() ==67836== Warning: invalid file descriptor 1048567 in syscall close() ==67836== Use --log-fd= to select an alternative log fd. ==67836== Warning: invalid file descriptor 1048568 in syscall close() ==67836== Warning: invalid file descriptor 1048569 in syscall close() ==67837== Warning: invalid file descriptor 1048564 in syscall close() ==67837== Warning: invalid file descriptor 1048565 in syscall close() ==67837== Warning: invalid file descriptor 1048566 in syscall close() ==67837== Warning: invalid file descriptor 1048567 in syscall close() ==67837== Use --log-fd= to select an alternative log fd. ==67837== Warning: invalid file descriptor 1048568 in syscall close() ==67837== Warning: invalid file descriptor 1048569 in syscall close() ==67838== Warning: invalid file descriptor 1048564 in syscall close() ==67838== Warning: invalid file descriptor 1048565 in syscall close() ==67838== Warning: invalid file descriptor 1048566 in syscall close() ==67838== Warning: invalid file descriptor 1048567 in syscall close() ==67838== Use --log-fd= to select an alternative log fd. ==67838== Warning: invalid file descriptor 1048568 in syscall close() ==67838== Warning: invalid file descriptor 1048569 in syscall close() ==67839== Warning: invalid file descriptor 1048564 in syscall close() ==67839== Warning: invalid file descriptor 1048565 in syscall close() ==67839== Warning: invalid file descriptor 1048566 in syscall close() ==67839== Warning: invalid file descriptor 1048567 in syscall close() ==67839== Use --log-fd= to select an alternative log fd. ==67839== Warning: invalid file descriptor 1048568 in syscall close() ==67839== Warning: invalid file descriptor 1048569 in syscall close() ==67840== Warning: invalid file descriptor 1048564 in syscall close() ==67840== Warning: invalid file descriptor 1048565 in syscall close() ==67840== Warning: invalid file descriptor 1048566 in syscall close() ==67840== Warning: invalid file descriptor 1048567 in syscall close() ==67840== Use --log-fd= to select an alternative log fd. ==67840== Warning: invalid file descriptor 1048568 in syscall close() ==67840== Warning: invalid file descriptor 1048569 in syscall close() ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4EDAB75: strtok_r (strtok_r.c:49) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4C379B4: strspn (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==67710== by 0x4EDAB81: strtok_r (strtok_r.c:56) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4C379C7: strspn (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==67710== by 0x4EDAB81: strtok_r (strtok_r.c:56) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4C379E9: strspn (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==67710== by 0x4EDAB81: strtok_r (strtok_r.c:56) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4EDAB88: strtok_r (strtok_r.c:57) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4C378F2: strcspn (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==67710== by 0x4EDAB94: strtok_r (strtok_r.c:64) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4C37908: strcspn (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==67710== by 0x4EDAB94: strtok_r (strtok_r.c:64) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4C37917: strcspn (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==67710== by 0x4EDAB94: strtok_r (strtok_r.c:64) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4C37928: strcspn (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==67710== by 0x4EDAB94: strtok_r (strtok_r.c:64) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4EDAB9B: strtok_r (strtok_r.c:65) ==67710== by 0x95F75B4: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Use of uninitialised value of size 8 ==67710== at 0x4E85ACC: ____strtod_l_internal (strtod_l.c:610) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85AD9: ____strtod_l_internal (strtod_l.c:613) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85AEA: ____strtod_l_internal (strtod_l.c:618) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85AFF: ____strtod_l_internal (strtod_l.c:632) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85B38: ____strtod_l_internal (strtod_l.c:640) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85B97: ____strtod_l_internal (strtod_l.c:688) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Use of uninitialised value of size 8 ==67710== at 0x4E85C66: ____strtod_l_internal (strtod_l.c:688) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85C9C: ____strtod_l_internal (strtod_l.c:708) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85CA7: ____strtod_l_internal (strtod_l.c:732) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Use of uninitialised value of size 8 ==67710== at 0x4E85CAD: ____strtod_l_internal (strtod_l.c:731) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85CC7: ____strtod_l_internal (strtod_l.c:739) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85D34: ____strtod_l_internal (strtod_l.c:774) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85D71: ____strtod_l_internal (strtod_l.c:855) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E873BA: ____strtod_l_internal (strtod_l.c:863) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E87394: ____strtod_l_internal (strtod_l.c:867) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Use of uninitialised value of size 8 ==67710== at 0x4E85E0D: ____strtod_l_internal (strtod_l.c:879) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85FFB: ____strtod_l_internal (strtod_l.c:886) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85E30: ____strtod_l_internal (strtod_l.c:891) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85EBB: ____strtod_l_internal (strtod_l.c:894) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E86869: ____strtod_l_internal (strtod_l.c:947) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E8609B: ____strtod_l_internal (strtod_l.c:1002) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E860A4: ____strtod_l_internal (strtod_l.c:967) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E86079: ____strtod_l_internal (strtod_l.c:967) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85ED6: ____strtod_l_internal (strtod_l.c:1014) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4E85EEF: ____strtod_l_internal (strtod_l.c:1014) ==67710== by 0x95F75C6: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==67710== Conditional jump or move depends on uninitialised value(s) ==67710== at 0x4EDAB75: strtok_r (strtok_r.c:49) ==67710== by 0x95F75F8: LAMMPS_NS::PairEAM::grab(_IO_FILE*, int, double*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FE7B6: LAMMPS_NS::PairEAMFS::read_file(char*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x95FC897: LAMMPS_NS::PairEAMFS::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x94D00E3: LAMMPS_NS::PairHybridOverlay::coeff(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940408C: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x969AD34: LAMMPS_NS::KimInteractions::do_setup(int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9405D42: void LAMMPS_NS::Input::command_creator(LAMMPS_NS::LAMMPS*, int, char**) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9403D41: LAMMPS_NS::Input::execute_command() (in /usr/local/lib/liblammps.so.0) ==67710== by 0x940486B: LAMMPS_NS::Input::one(char const*) (in /usr/local/lib/liblammps.so.0) ==67710== by 0x9438F48: lammps_command (in /usr/local/lib/liblammps.so.0) ==67710== ==68579== Warning: invalid file descriptor 1048564 in syscall close() ==68579== Warning: invalid file descriptor 1048565 in syscall close() ==68579== Warning: invalid file descriptor 1048566 in syscall close() ==68579== Warning: invalid file descriptor 1048567 in syscall close() ==68579== Use --log-fd= to select an alternative log fd. ==68579== Warning: invalid file descriptor 1048568 in syscall close() ==68579== Warning: invalid file descriptor 1048569 in syscall close() ==68581== Warning: invalid file descriptor 1048564 in syscall close() ==68581== Warning: invalid file descriptor 1048565 in syscall close() ==68581== Warning: invalid file descriptor 1048566 in syscall close() ==68581== Warning: invalid file descriptor 1048567 in syscall close() ==68581== Use --log-fd= to select an alternative log fd. ==68581== Warning: invalid file descriptor 1048568 in syscall close() ==68581== Warning: invalid file descriptor 1048569 in syscall close() ==68582== Warning: invalid file descriptor 1048564 in syscall close() ==68582== Warning: invalid file descriptor 1048565 in syscall close() ==68582== Warning: invalid file descriptor 1048566 in syscall close() ==68582== Warning: invalid file descriptor 1048567 in syscall close() ==68582== Use --log-fd= to select an alternative log fd. ==68582== Warning: invalid file descriptor 1048568 in syscall close() ==68582== Warning: invalid file descriptor 1048569 in syscall close() ==68583== Warning: invalid file descriptor 1048564 in syscall close() ==68583== Warning: invalid file descriptor 1048565 in syscall close() ==68583== Warning: invalid file descriptor 1048566 in syscall close() ==68583== Warning: invalid file descriptor 1048567 in syscall close() ==68583== Use --log-fd= to select an alternative log fd. ==68583== Warning: invalid file descriptor 1048568 in syscall close() ==68583== Warning: invalid file descriptor 1048569 in syscall close() ==67710== ==67710== More than 10000000 total errors detected. I'm not reporting any more. ==67710== Final error counts will be inaccurate. Go fix your program! ==67710== Rerun with --error-limit=no to disable this cutoff. Note ==67710== that errors may occur in your program without prior warning from ==67710== Valgrind, because errors are no longer being displayed. ==67710== ==69657== Warning: invalid file descriptor 1048564 in syscall close() ==69657== Warning: invalid file descriptor 1048565 in syscall close() ==69657== Warning: invalid file descriptor 1048566 in syscall close() ==69657== Warning: invalid file descriptor 1048567 in syscall close() ==69657== Use --log-fd= to select an alternative log fd. ==69657== Warning: invalid file descriptor 1048568 in syscall close() ==69657== Warning: invalid file descriptor 1048569 in syscall close() ==69666== Warning: invalid file descriptor 1048564 in syscall close() ==69666== Warning: invalid file descriptor 1048565 in syscall close() ==69666== Warning: invalid file descriptor 1048566 in syscall close() ==69666== Warning: invalid file descriptor 1048567 in syscall close() ==69666== Use --log-fd= to select an alternative log fd. ==69666== Warning: invalid file descriptor 1048568 in syscall close() ==69666== Warning: invalid file descriptor 1048569 in syscall close() ==69675== Warning: invalid file descriptor 1048564 in syscall close() ==69675== Warning: invalid file descriptor 1048565 in syscall close() ==69675== Warning: invalid file descriptor 1048566 in syscall close() ==69675== Warning: invalid file descriptor 1048567 in syscall close() ==69675== Use --log-fd= to select an alternative log fd. ==69675== Warning: invalid file descriptor 1048568 in syscall close() ==69675== Warning: invalid file descriptor 1048569 in syscall close() ==69682== Warning: invalid file descriptor 1048564 in syscall close() ==69682== Warning: invalid file descriptor 1048565 in syscall close() ==69682== Warning: invalid file descriptor 1048566 in syscall close() ==69682== Warning: invalid file descriptor 1048567 in syscall close() ==69682== Use --log-fd= to select an alternative log fd. ==69682== Warning: invalid file descriptor 1048568 in syscall close() ==69682== Warning: invalid file descriptor 1048569 in syscall close() ==69953== Warning: invalid file descriptor 1048564 in syscall close() ==69953== Warning: invalid file descriptor 1048565 in syscall close() ==69953== Warning: invalid file descriptor 1048566 in syscall close() ==69953== Warning: invalid file descriptor 1048567 in syscall close() ==69953== Use --log-fd= to select an alternative log fd. ==69953== Warning: invalid file descriptor 1048568 in syscall close() ==69953== Warning: invalid file descriptor 1048569 in syscall close() ==69955== Warning: invalid file descriptor 1048564 in syscall close() ==69955== Warning: invalid file descriptor 1048565 in syscall close() ==69955== Warning: invalid file descriptor 1048566 in syscall close() ==69955== Warning: invalid file descriptor 1048567 in syscall close() ==69955== Use --log-fd= to select an alternative log fd. ==69955== Warning: invalid file descriptor 1048568 in syscall close() ==69955== Warning: invalid file descriptor 1048569 in syscall close() ==69963== Warning: invalid file descriptor 1048564 in syscall close() ==69963== Warning: invalid file descriptor 1048565 in syscall close() ==69963== Warning: invalid file descriptor 1048566 in syscall close() ==69963== Warning: invalid file descriptor 1048567 in syscall close() ==69963== Use --log-fd= to select an alternative log fd. ==69963== Warning: invalid file descriptor 1048568 in syscall close() ==69963== Warning: invalid file descriptor 1048569 in syscall close() ==69977== Warning: invalid file descriptor 1048564 in syscall close() ==69977== Warning: invalid file descriptor 1048565 in syscall close() ==69977== Warning: invalid file descriptor 1048566 in syscall close() ==69977== Warning: invalid file descriptor 1048567 in syscall close() ==69977== Use --log-fd= to select an alternative log fd. ==69977== Warning: invalid file descriptor 1048568 in syscall close() ==69977== Warning: invalid file descriptor 1048569 in syscall close() ==67710== ==67710== HEAP SUMMARY: ==67710== in use at exit: 1,780,731 bytes in 1,488 blocks ==67710== total heap usage: 48,173 allocs, 46,685 frees, 818,275,501 bytes allocated ==67710== ==67710== LEAK SUMMARY: ==67710== definitely lost: 0 bytes in 0 blocks ==67710== indirectly lost: 0 bytes in 0 blocks ==67710== possibly lost: 178,423 bytes in 96 blocks ==67710== still reachable: 1,602,308 bytes in 1,392 blocks ==67710== suppressed: 0 bytes in 0 blocks ==67710== Rerun with --leak-check=full to see details of leaked memory ==67710== ==67710== For counts of detected and suppressed errors, rerun with: -v ==67710== Use --track-origins=yes to see where uninitialised values come from ==67710== ERROR SUMMARY: 10000000 errors from 36 contexts (suppressed: 13377 from 385) ================================================================================ 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.