!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KangSaLee_2009_ZrAgCu__MO_813575892799_001 Supported species : Ag Cu Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 277.03189689555916 Forces: 1 -4.84003821e+00 -1.98899251e+01 -2.08016714e+01 2 -1.81838200e+01 1.29376085e+01 -1.93000119e+01 3 1.08012356e+01 -2.28799407e+01 -9.27582197e+00 4 -1.86238736e+01 1.63058539e+01 1.12063975e+01 5 -6.67631547e-01 -3.90691955e+01 -9.03857384e+00 6 2.09652304e+01 1.41381349e+01 -2.18038173e+01 7 7.76395443e+00 -5.75361776e+01 -4.50369614e+01 8 -2.51480334e+01 -3.13445602e+01 1.27293561e+00 9 -2.73330295e+01 -1.36667954e+01 -3.40620726e+01 10 -1.42908261e+01 6.25239571e+01 -4.28629825e+01 11 -3.13838455e+01 -3.71169299e+01 3.88353915e+01 12 -2.70478850e+01 3.19066495e+01 1.08954335e+01 13 2.60402104e+01 -3.15748356e+01 -7.64292445e+01 14 2.32329741e+01 2.05092774e+01 -1.71938417e+01 15 7.83281650e+01 -3.71267772e+01 -1.32006933e+01 16 -2.49462301e+01 6.77254462e+01 1.89363722e+01 17 -3.71126404e+01 -1.90618669e+01 -1.17702325e+01 18 1.25162544e+01 2.59303803e+01 -1.20543779e+01 19 7.48280890e+00 -3.44232032e+01 2.51470243e+01 20 -1.66572598e+01 1.79305480e+01 2.22248394e+01 21 -3.15737207e+01 -3.08803369e+01 1.11777184e+01 22 5.94306068e+01 5.90113679e+01 4.86782027e+01 23 1.04694367e+01 -5.06493222e+00 1.38367629e+01 24 1.20706507e+01 1.07070970e+01 1.72260580e+01 25 -1.95358336e+01 -2.38009946e+01 -9.35173332e+00 26 -2.98277238e+00 3.26488946e+01 -3.14405614e+01 27 3.28480605e+01 -6.98197615e+01 1.89485687e+01 28 -7.13055773e+01 6.44031709e+01 3.32752369e+01 29 -2.59175402e+01 -2.79826499e+01 1.07742841e+01 30 4.36644336e+01 3.88994547e+01 2.95517121e+01 31 3.20574786e+01 -1.43729113e+01 1.95578079e+01 32 1.98790572e+01 4.00339530e+01 4.20778517e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 277.03189689555916 Forces: 1 -4.84003821e+00 -1.98899251e+01 -2.08016714e+01 2 -1.81838200e+01 1.29376085e+01 -1.93000119e+01 3 1.08012356e+01 -2.28799407e+01 -9.27582197e+00 4 -1.86238736e+01 1.63058539e+01 1.12063975e+01 5 -6.67631547e-01 -3.90691955e+01 -9.03857384e+00 6 2.09652304e+01 1.41381349e+01 -2.18038173e+01 7 7.76395443e+00 -5.75361776e+01 -4.50369614e+01 8 -2.51480334e+01 -3.13445602e+01 1.27293561e+00 9 -2.73330295e+01 -1.36667954e+01 -3.40620726e+01 10 -1.42908261e+01 6.25239571e+01 -4.28629825e+01 11 -3.13838455e+01 -3.71169299e+01 3.88353915e+01 12 -2.70478850e+01 3.19066495e+01 1.08954335e+01 13 2.60402104e+01 -3.15748356e+01 -7.64292445e+01 14 2.32329741e+01 2.05092774e+01 -1.71938417e+01 15 7.83281650e+01 -3.71267772e+01 -1.32006933e+01 16 -2.49462301e+01 6.77254462e+01 1.89363722e+01 17 -3.71126404e+01 -1.90618669e+01 -1.17702325e+01 18 1.25162544e+01 2.59303803e+01 -1.20543779e+01 19 7.48280890e+00 -3.44232032e+01 2.51470243e+01 20 -1.66572598e+01 1.79305480e+01 2.22248394e+01 21 -3.15737207e+01 -3.08803369e+01 1.11777184e+01 22 5.94306068e+01 5.90113679e+01 4.86782027e+01 23 1.04694367e+01 -5.06493222e+00 1.38367629e+01 24 1.20706507e+01 1.07070970e+01 1.72260580e+01 25 -1.95358336e+01 -2.38009946e+01 -9.35173332e+00 26 -2.98277238e+00 3.26488946e+01 -3.14405614e+01 27 3.28480605e+01 -6.98197615e+01 1.89485687e+01 28 -7.13055773e+01 6.44031709e+01 3.32752369e+01 29 -2.59175402e+01 -2.79826499e+01 1.07742841e+01 30 4.36644336e+01 3.88994547e+01 2.95517121e+01 31 3.20574786e+01 -1.43729113e+01 1.95578079e+01 32 1.98790572e+01 4.00339530e+01 4.20778517e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 37.58594936971343 Forces: 1 -4.49466682e+00 -7.77219072e+00 -3.20182590e+00 2 2.50132379e+01 -8.75805446e+00 -1.90662102e+01 3 -1.72267568e+01 -2.37914521e+01 -1.26281277e+01 4 -2.35480041e+01 -1.09302762e+01 2.02752052e+01 5 -3.74380859e+00 -2.35446179e+01 -2.28597747e+01 6 1.89993065e+01 1.00426542e+01 -1.40984480e+01 7 1.11536815e+01 -9.15919262e+00 4.82523217e+00 8 -8.55414286e+00 2.84923202e+01 1.67600228e+00 9 -1.49617349e+01 2.09547270e+01 -1.79380202e+01 10 9.08961972e+00 8.57027380e+00 -2.18622142e+01 11 6.27865594e+00 -7.34993380e+00 1.00903624e+01 12 -1.76635442e+01 6.07487627e+00 1.54084470e+01 13 2.14125224e+00 -5.48988091e+00 -7.93455997e+00 14 2.09697981e+00 3.99791076e+00 -2.89434855e+00 15 2.67639320e+01 1.45559020e+01 -3.41798198e+01 16 6.54325810e+00 9.69659136e+00 4.15081704e+00 17 -1.30203419e+01 -4.39895756e+01 -4.03699510e+01 18 -5.56229706e+00 1.44885469e+01 1.38404615e+01 19 7.55443809e+00 -2.95004186e+00 8.04283107e+00 20 -5.21703656e+00 3.68936005e+01 4.19281071e+01 21 1.84012499e+01 -1.13232908e+01 2.18439084e+01 22 2.72454754e+01 -2.71125601e+01 1.48180100e+01 23 6.46033542e-01 -1.11605954e+00 2.02198427e+00 24 -1.14851780e+01 -1.03983749e+01 6.57560951e+00 25 -1.06760543e+01 -1.24227478e+00 -8.38716442e+00 26 9.44939231e+00 6.65825062e+00 -1.00088421e+01 27 1.34989214e+01 -5.56781248e+00 1.21677124e+01 28 -1.48548823e+01 1.01192707e+01 1.13909775e+01 29 -4.75701970e+01 1.61551549e+01 1.66179005e+01 30 1.49198835e+01 2.60118479e+00 -1.65336760e+01 31 1.46566584e+01 3.25619787e-01 9.46428789e+00 32 -1.58733308e+01 1.08687049e+01 1.68251268e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 37.58594936971343 Forces: 1 -4.49466682e+00 -7.77219072e+00 -3.20182590e+00 2 2.50132379e+01 -8.75805446e+00 -1.90662102e+01 3 -1.72267568e+01 -2.37914521e+01 -1.26281277e+01 4 -2.35480041e+01 -1.09302762e+01 2.02752052e+01 5 -3.74380859e+00 -2.35446179e+01 -2.28597747e+01 6 1.89993065e+01 1.00426542e+01 -1.40984480e+01 7 1.11536815e+01 -9.15919262e+00 4.82523217e+00 8 -8.55414286e+00 2.84923202e+01 1.67600228e+00 9 -1.49617349e+01 2.09547270e+01 -1.79380202e+01 10 9.08961972e+00 8.57027380e+00 -2.18622142e+01 11 6.27865594e+00 -7.34993380e+00 1.00903624e+01 12 -1.76635442e+01 6.07487627e+00 1.54084470e+01 13 2.14125224e+00 -5.48988091e+00 -7.93455997e+00 14 2.09697981e+00 3.99791076e+00 -2.89434855e+00 15 2.67639320e+01 1.45559020e+01 -3.41798198e+01 16 6.54325810e+00 9.69659136e+00 4.15081704e+00 17 -1.30203419e+01 -4.39895756e+01 -4.03699510e+01 18 -5.56229706e+00 1.44885469e+01 1.38404615e+01 19 7.55443809e+00 -2.95004186e+00 8.04283107e+00 20 -5.21703656e+00 3.68936005e+01 4.19281071e+01 21 1.84012499e+01 -1.13232908e+01 2.18439084e+01 22 2.72454754e+01 -2.71125601e+01 1.48180100e+01 23 6.46033542e-01 -1.11605954e+00 2.02198427e+00 24 -1.14851780e+01 -1.03983749e+01 6.57560951e+00 25 -1.06760543e+01 -1.24227478e+00 -8.38716442e+00 26 9.44939231e+00 6.65825062e+00 -1.00088421e+01 27 1.34989214e+01 -5.56781248e+00 1.21677124e+01 28 -1.48548823e+01 1.01192707e+01 1.13909775e+01 29 -4.75701970e+01 1.61551549e+01 1.66179005e+01 30 1.49198835e+01 2.60118479e+00 -1.65336760e+01 31 1.46566584e+01 3.25619787e-01 9.46428789e+00 32 -1.58733308e+01 1.08687049e+01 1.68251268e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 248.78433590482268 Forces: 1 -2.02417604e+01 -1.64416434e+01 -1.83603933e+01 2 -5.23613579e-01 -1.34501775e+01 -3.34976703e+01 3 1.30434129e+01 -2.34981276e+01 -9.29929051e+00 4 -1.80136794e+01 -5.73442579e+00 4.55138208e+00 5 -1.61516240e+01 -3.61477296e+01 -2.69847134e+01 6 3.58889730e+01 2.16326841e+01 -2.55815072e+01 7 3.56202972e+01 -3.61192436e+01 1.71777892e+01 8 -2.59068905e+01 2.37604360e+01 9.35560873e+00 9 -2.77356203e+01 6.73339068e+00 -2.01164444e+01 10 6.52513501e+00 2.25816748e+01 -1.56865572e+01 11 6.14818906e+00 7.99274005e+00 1.08674926e+01 12 -1.91748910e+01 1.73442094e+01 1.20069202e+01 13 1.87330744e+01 4.65478138e+00 -2.10333947e+01 14 4.42937088e+00 4.10014091e+00 -6.12253463e+00 15 2.04421606e+01 -5.28681043e+00 -9.71006460e+00 16 -9.61071437e+00 1.74943598e+01 -1.65184350e+01 17 -2.34025550e+01 -2.04071339e+01 1.17533040e+00 18 2.60830482e+00 -7.84990985e+00 6.11485695e+00 19 8.94814351e+00 -2.36912088e+01 1.62959509e+01 20 -2.06067363e+01 9.86292925e+00 2.17159192e+01 21 -6.17249410e+00 -2.06596636e+01 -1.79897650e+00 22 2.44251299e+01 -4.45934217e+00 -1.89689596e+01 23 1.77505280e+01 -2.36823080e+01 2.16035982e+01 24 -3.64789788e+00 -1.02802351e+01 3.19233848e+01 25 -2.67909901e+01 1.45886570e+01 3.60267686e+00 26 -2.44373113e-01 1.82133114e+01 -5.52014753e+00 27 -1.49147359e+01 1.07092915e+01 2.77163128e+01 28 -1.49509121e+01 8.47185982e+00 1.05380409e+01 29 4.17729882e+00 3.77228586e+00 -1.42444053e+01 30 2.22196021e+01 2.46589398e+01 8.46426565e+00 31 2.57777667e+01 1.07001156e+01 1.94311357e+01 32 1.35210119e+00 2.04361519e+01 2.09028288e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 248.78433590482268 Forces: 1 -2.02417604e+01 -1.64416434e+01 -1.83603933e+01 2 -5.23613579e-01 -1.34501775e+01 -3.34976703e+01 3 1.30434129e+01 -2.34981276e+01 -9.29929051e+00 4 -1.80136794e+01 -5.73442579e+00 4.55138208e+00 5 -1.61516240e+01 -3.61477296e+01 -2.69847134e+01 6 3.58889730e+01 2.16326841e+01 -2.55815072e+01 7 3.56202972e+01 -3.61192436e+01 1.71777892e+01 8 -2.59068905e+01 2.37604360e+01 9.35560873e+00 9 -2.77356203e+01 6.73339068e+00 -2.01164444e+01 10 6.52513501e+00 2.25816748e+01 -1.56865572e+01 11 6.14818906e+00 7.99274005e+00 1.08674926e+01 12 -1.91748910e+01 1.73442094e+01 1.20069202e+01 13 1.87330744e+01 4.65478138e+00 -2.10333947e+01 14 4.42937088e+00 4.10014091e+00 -6.12253463e+00 15 2.04421606e+01 -5.28681043e+00 -9.71006460e+00 16 -9.61071437e+00 1.74943598e+01 -1.65184350e+01 17 -2.34025550e+01 -2.04071339e+01 1.17533040e+00 18 2.60830482e+00 -7.84990985e+00 6.11485695e+00 19 8.94814351e+00 -2.36912088e+01 1.62959509e+01 20 -2.06067363e+01 9.86292925e+00 2.17159192e+01 21 -6.17249410e+00 -2.06596636e+01 -1.79897650e+00 22 2.44251299e+01 -4.45934217e+00 -1.89689596e+01 23 1.77505280e+01 -2.36823080e+01 2.16035982e+01 24 -3.64789788e+00 -1.02802351e+01 3.19233848e+01 25 -2.67909901e+01 1.45886570e+01 3.60267686e+00 26 -2.44373113e-01 1.82133114e+01 -5.52014753e+00 27 -1.49147359e+01 1.07092915e+01 2.77163128e+01 28 -1.49509121e+01 8.47185982e+00 1.05380409e+01 29 4.17729882e+00 3.77228586e+00 -1.42444053e+01 30 2.22196021e+01 2.46589398e+01 8.46426565e+00 31 2.57777667e+01 1.07001156e+01 1.94311357e+01 32 1.35210119e+00 2.04361519e+01 2.09028288e+01 MIXED STRUCTURE (pbc=False)-- Species = Ag Cu Zr (Configuration in file "config-F-AgCuZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 316.701026029626 Forces: 1 -2.70744538e+01 -1.75385331e+01 -2.37721460e+01 2 1.12900783e+01 3.57148109e+00 -3.77094203e+01 3 1.61556535e+01 -4.06391847e+01 -1.04689434e+01 4 -5.47519378e+01 2.04946839e+01 -3.02669504e+00 5 -6.12656633e+00 -3.76218646e+01 -3.66234410e+01 6 3.59609118e+01 4.93350126e+01 -5.17945270e+01 7 1.84680603e+01 -5.40107133e+01 4.60911200e+01 8 1.03383706e+01 1.90145248e+01 2.95774119e+01 9 -1.96259733e+01 3.32746361e-01 -1.50100449e+01 10 7.06016178e+00 2.20832975e+01 -1.87414724e+01 11 3.82441692e+00 -1.00757602e+01 7.87685650e+00 12 -2.77540470e+01 2.87530780e+01 3.15932694e+00 13 -1.26766563e+01 -1.80044385e+01 -4.63233590e+01 14 1.62784028e+01 1.38913485e+01 -2.31177316e+01 15 1.00150483e+02 -1.22983372e+02 -7.78485988e+00 16 -1.01509800e+02 1.19531543e+02 -2.70449510e+01 17 -4.63135193e+01 -1.74282264e+01 1.50621125e+01 18 1.41366307e+01 4.84722209e+00 1.14009713e+01 19 -7.79502177e+00 -1.77050150e+01 2.44214797e+01 20 -1.52482964e+01 5.17145746e+00 2.76998093e+01 21 3.99515785e+01 -1.72983203e+01 -8.60418825e+00 22 1.17960697e+01 -8.22867906e+00 -9.37655007e+00 23 8.02392352e+00 -8.08940547e+00 5.50191937e+00 24 7.56811236e+00 -9.28672005e+00 2.27514514e+01 25 -3.34598211e+01 -1.10926317e+01 -1.24227346e+01 26 -2.82106584e+01 2.71943114e+01 -6.46933793e+01 27 -2.20837651e+01 -2.11405717e+01 5.08448654e+01 28 -2.61629112e+01 1.90473851e+01 1.80697938e+01 29 2.96179422e+01 -3.53475992e+01 -1.69839349e+01 30 4.42490891e+01 4.00806813e+01 7.17924878e+01 31 1.23150339e+01 3.52635744e+00 1.67465127e+01 32 4.16085093e+01 6.96159041e+01 6.25022601e+01 MIXED STRUCTURE (pbc=True)-- Species = Ag Cu Zr (Configuration in file "config-T-AgCuZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 429.8746539596015 Forces: 1 1.50137496e+01 -1.71220877e+01 -3.56371633e+01 2 1.25823535e+01 1.81874482e+01 -2.06692550e+01 3 2.47648937e+01 -2.53846374e+01 -6.81898418e+00 4 -2.28001843e+01 3.24239522e+01 8.63749192e+00 5 -1.15571151e+01 -1.32533371e+01 -3.14950854e+01 6 -3.95443967e+00 5.39751869e+01 -4.79687769e+01 7 -2.07699477e+01 -3.79448084e+01 5.44973411e+01 8 7.36321011e+00 1.56116991e+01 3.36146469e+01 9 -5.31170634e+00 2.13595656e+00 -8.07129167e+00 10 2.15759180e+00 5.63015779e+00 -9.33856201e+00 11 4.42288151e+00 -1.04524300e+01 6.95445932e+00 12 -1.32271405e+01 -9.58955309e-01 1.75617995e+01 13 -1.89434706e+01 -2.32645778e+01 -3.16287592e+01 14 3.63759536e+00 7.79696837e+00 -2.14665932e+01 15 8.38708735e+01 -1.23965618e+02 6.00279013e+00 16 -8.92608929e+01 1.01321887e+02 -3.17865887e+01 17 -3.44742971e+01 -1.42670927e+01 6.72023965e+00 18 1.68703237e+01 4.79822706e+00 9.51239662e+00 19 -3.10322809e+01 2.43843659e+01 2.38084079e+01 20 1.17916528e+00 2.11092082e+01 2.22033138e+01 21 4.65492709e+01 1.10760616e+01 -1.95120500e+01 22 2.36474745e+00 -7.19469466e+00 -1.29861611e+01 23 -2.00067731e+01 -1.25386941e+01 3.67620977e+00 24 6.66647970e+00 -1.07009938e+01 1.75760857e+01 25 -2.72171755e+01 -7.16942701e+00 -1.38665923e+01 26 -2.72673543e+01 4.31605387e+00 -5.33701761e+01 27 -1.95741797e+01 -2.28149383e+01 2.91034170e+01 28 -1.79587431e+01 1.15298008e+01 1.25151149e+01 29 2.97267860e+01 -3.43931081e+01 -1.62758501e+01 30 4.35238342e+01 3.20828336e+01 6.87555751e+01 31 7.65144716e+00 1.85797825e+00 -1.99998480e+00 32 5.50104972e+01 1.31876151e+01 4.17525846e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==111993== Memcheck, a memory error detector ==111993== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==111993== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==111993== Command: python runner2.py MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001 ==111993== ==115887== Warning: invalid file descriptor 255988 in syscall close() ==115887== Warning: invalid file descriptor 255989 in syscall close() ==115887== Warning: invalid file descriptor 255990 in syscall close() ==115887== Warning: invalid file descriptor 255991 in syscall close() ==115887== Use --log-fd= to select an alternative log fd. ==115887== Warning: invalid file descriptor 255992 in syscall close() ==115887== Warning: invalid file descriptor 255993 in syscall close() ==111993== Mismatched free() / delete / delete [] ==111993== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==111993== by 0x5389439C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x5376754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53768C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53751DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x537555CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x3C0BAF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0BBE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0C0762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C070246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x290CD4C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==111993== by 0x290E12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==111993== Address 0x5e052d10 is 0 bytes inside a block of size 1,024 alloc'd ==111993== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==111993== by 0x53893B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x5376754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53768C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53751DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x537555CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x3C0BAF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0BBE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0C0762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C070246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x290CD4C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==111993== by 0x290E12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==111993== ==111993== Mismatched free() / delete / delete [] ==111993== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==111993== by 0x5388EDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53767578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53768C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53751DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x537555CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x3C0BAF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0BBE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0C0762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C070246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x290CD4C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==111993== by 0x290E12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==111993== Address 0x5e054520 is 0 bytes inside a block of size 1,024 alloc'd ==111993== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==111993== by 0x5388EBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53767578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53768C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x53751DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x537555CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-61de85fe-b51d-4b70-bc3f-dd8cc5b2303d-007-c1095777-6bb8-4782-bb07-da5f76a6b349/VC_561022993723_003-and-MO_813575892799_001-1653019144/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==111993== by 0x3C0BAF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0BBE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C0C0762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x3C070246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==111993== by 0x290CD4C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==111993== by 0x290E12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==111993== ==111993== ==111993== HEAP SUMMARY: ==111993== in use at exit: 2,203,207 bytes in 1,644 blocks ==111993== total heap usage: 118,757 allocs, 117,113 frees, 142,811,364 bytes allocated ==111993== ==111993== LEAK SUMMARY: ==111993== definitely lost: 0 bytes in 0 blocks ==111993== indirectly lost: 0 bytes in 0 blocks ==111993== possibly lost: 196,543 bytes in 100 blocks ==111993== still reachable: 2,006,632 bytes in 1,543 blocks ==111993== suppressed: 32 bytes in 1 blocks ==111993== Rerun with --leak-check=full to see details of leaked memory ==111993== ==111993== For lists of detected and suppressed errors, rerun with: -s ==111993== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 9390 from 552) ================================================================================ 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.