!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ShimKoKim_2013_NiVH__MO_612225165948_001 Supported species : H Ni V random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = H (Configuration in file "config-F-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.199121010605312 Forces: 1 3.83782336e-01 3.06082862e-01 6.43612419e-01 2 6.57336856e-01 -6.87330525e-01 8.66148560e-02 3 -3.04876612e-01 9.89211334e-02 -3.64860273e-01 4 2.48933250e-01 -3.84243693e-01 -2.55947565e-01 5 -4.72050938e-01 6.59344556e-01 -3.39061740e-01 6 -4.26055111e-01 -2.83332291e-01 2.93201110e-01 7 4.83713966e-01 1.15592824e+00 1.63664935e+00 8 7.45099345e-01 3.61023795e-02 -9.00776367e-02 9 4.22129102e-01 1.20110707e+00 4.48361442e-01 10 -3.99840959e-01 -1.13781449e+00 5.41714435e-01 11 -6.78153772e-01 7.42511865e-01 -5.99360579e-01 12 -1.51234373e-01 -3.91100889e-01 -1.44315039e-01 13 9.17845927e-01 6.16181391e-01 8.49866408e-01 14 -6.86190327e-02 -4.75593821e-01 3.38022476e-01 15 -5.41198705e-01 1.95234706e-01 -1.00495572e+00 16 -5.32985111e-01 -3.29554917e-01 -7.68670635e-01 17 3.19133550e-01 1.85239853e-01 5.25271605e-01 18 -1.91837297e-01 -4.81443019e-01 5.99883788e-01 19 -4.17545786e-01 5.25649026e-01 -1.91525784e-01 20 8.41686775e-02 -4.32704038e-01 -2.21551266e-01 21 5.76371628e-01 1.14987468e-01 -1.67280204e-01 22 -5.77534878e-01 -1.16509949e+00 -1.26588323e+00 23 -1.92641716e-01 2.76851492e-02 -2.61545866e-01 24 -2.15377834e-01 -3.00687812e-01 -4.25892186e-01 25 -9.70389401e-02 3.05561812e-01 -2.82101016e-01 26 1.06765382e+00 -6.27635740e-01 1.14744169e+00 27 -8.67987858e-01 1.46292747e+00 6.17706132e-02 28 1.30267295e+00 -1.18559608e+00 -6.48270050e-02 29 3.72299279e-01 -2.14415429e-01 5.23166586e-01 30 6.16773977e-02 -3.10738501e-01 2.34254994e-01 31 -3.17184848e-01 4.24327122e-01 -5.39158614e-01 32 -1.19065432e+00 3.49498640e-01 -9.42817400e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = H (Configuration in file "config-T-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.199121010605312 Forces: 1 3.83782336e-01 3.06082862e-01 6.43612419e-01 2 6.57336856e-01 -6.87330525e-01 8.66148560e-02 3 -3.04876612e-01 9.89211334e-02 -3.64860273e-01 4 2.48933250e-01 -3.84243693e-01 -2.55947565e-01 5 -4.72050938e-01 6.59344556e-01 -3.39061740e-01 6 -4.26055111e-01 -2.83332291e-01 2.93201110e-01 7 4.83713966e-01 1.15592824e+00 1.63664935e+00 8 7.45099345e-01 3.61023795e-02 -9.00776367e-02 9 4.22129102e-01 1.20110707e+00 4.48361442e-01 10 -3.99840959e-01 -1.13781449e+00 5.41714435e-01 11 -6.78153772e-01 7.42511865e-01 -5.99360579e-01 12 -1.51234373e-01 -3.91100889e-01 -1.44315039e-01 13 9.17845927e-01 6.16181391e-01 8.49866408e-01 14 -6.86190327e-02 -4.75593821e-01 3.38022476e-01 15 -5.41198705e-01 1.95234706e-01 -1.00495572e+00 16 -5.32985111e-01 -3.29554917e-01 -7.68670635e-01 17 3.19133550e-01 1.85239853e-01 5.25271605e-01 18 -1.91837297e-01 -4.81443019e-01 5.99883788e-01 19 -4.17545786e-01 5.25649026e-01 -1.91525784e-01 20 8.41686775e-02 -4.32704038e-01 -2.21551266e-01 21 5.76371628e-01 1.14987468e-01 -1.67280204e-01 22 -5.77534878e-01 -1.16509949e+00 -1.26588323e+00 23 -1.92641716e-01 2.76851492e-02 -2.61545866e-01 24 -2.15377834e-01 -3.00687812e-01 -4.25892186e-01 25 -9.70389401e-02 3.05561812e-01 -2.82101016e-01 26 1.06765382e+00 -6.27635740e-01 1.14744169e+00 27 -8.67987858e-01 1.46292747e+00 6.17706132e-02 28 1.30267295e+00 -1.18559608e+00 -6.48270050e-02 29 3.72299279e-01 -2.14415429e-01 5.23166586e-01 30 6.16773977e-02 -3.10738501e-01 2.34254994e-01 31 -3.17184848e-01 4.24327122e-01 -5.39158614e-01 32 -1.19065432e+00 3.49498640e-01 -9.42817400e-01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.950435622117033 Forces: 1 -8.59417244e+00 -7.21700217e+00 -8.14771665e+00 2 4.07955576e+00 8.77939330e+00 -2.19432978e+01 3 1.41200016e+01 -1.96233799e+01 9.96942988e+00 4 -1.54697026e+01 1.05147874e+01 1.23480389e+01 5 -1.17319050e+00 -3.27616483e+00 -3.70946055e+00 6 4.45048330e+00 8.37884597e+00 -8.68571981e+00 7 1.55619335e+01 -1.12104693e+01 -1.01687829e+01 8 9.64415966e+00 -5.76793192e+00 4.18793778e+00 9 -1.23858333e+01 -4.81299846e+01 -4.17953767e+01 10 6.07400141e+00 1.29786228e+01 -1.01885139e+01 11 -3.03822036e+01 7.69288051e+00 -2.50374540e+01 12 -6.06766373e+00 4.71872923e+01 4.39418163e+01 13 7.28110212e+00 -4.27914508e+00 -4.03752568e+00 14 3.19341050e+00 7.05388112e-01 -2.75147643e+00 15 2.35149409e+00 -1.27700022e+00 -1.21660549e+00 16 2.31069155e+00 3.03229169e+00 -9.17255011e+00 17 -1.24160579e+01 -9.01126187e+00 -1.25777199e+01 18 -6.76700233e-01 -1.11964742e+01 -6.96960123e+00 19 1.51026894e+01 -1.27665928e+01 1.29740655e+01 20 -2.41223967e+01 1.07529640e+01 1.75197255e+01 21 -2.55815457e+01 -1.30154132e+01 1.07757166e+01 22 2.15615210e+01 1.20507925e+01 -1.42375605e+01 23 6.26748464e+00 -1.26889821e+01 8.28409383e+00 24 -1.37573185e+01 7.31141016e+00 2.19070369e+01 25 -7.71832821e+00 -8.27855330e+00 -8.05472609e+00 26 -5.98730274e+00 6.55263016e+00 9.86005593e+00 27 7.65528703e+00 -3.14672557e+00 8.58578619e+00 28 -6.93255835e+00 1.07157032e+01 4.59707658e+00 29 4.09107507e+01 1.74397124e+01 1.77781019e+01 30 8.49696342e+00 3.71217995e+00 7.94837698e-01 31 8.82450386e+00 -1.70542629e+00 1.02166159e+00 32 -6.62105907e+00 4.78561301e+00 4.14870672e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.950435622117033 Forces: 1 -8.59417244e+00 -7.21700217e+00 -8.14771665e+00 2 4.07955576e+00 8.77939330e+00 -2.19432978e+01 3 1.41200016e+01 -1.96233799e+01 9.96942988e+00 4 -1.54697026e+01 1.05147874e+01 1.23480389e+01 5 -1.17319050e+00 -3.27616483e+00 -3.70946055e+00 6 4.45048330e+00 8.37884597e+00 -8.68571981e+00 7 1.55619335e+01 -1.12104693e+01 -1.01687829e+01 8 9.64415966e+00 -5.76793192e+00 4.18793778e+00 9 -1.23858333e+01 -4.81299846e+01 -4.17953767e+01 10 6.07400141e+00 1.29786228e+01 -1.01885139e+01 11 -3.03822036e+01 7.69288051e+00 -2.50374540e+01 12 -6.06766373e+00 4.71872923e+01 4.39418163e+01 13 7.28110212e+00 -4.27914508e+00 -4.03752568e+00 14 3.19341050e+00 7.05388112e-01 -2.75147643e+00 15 2.35149409e+00 -1.27700022e+00 -1.21660549e+00 16 2.31069155e+00 3.03229169e+00 -9.17255011e+00 17 -1.24160579e+01 -9.01126187e+00 -1.25777199e+01 18 -6.76700233e-01 -1.11964742e+01 -6.96960123e+00 19 1.51026894e+01 -1.27665928e+01 1.29740655e+01 20 -2.41223967e+01 1.07529640e+01 1.75197255e+01 21 -2.55815457e+01 -1.30154132e+01 1.07757166e+01 22 2.15615210e+01 1.20507925e+01 -1.42375605e+01 23 6.26748464e+00 -1.26889821e+01 8.28409383e+00 24 -1.37573185e+01 7.31141016e+00 2.19070369e+01 25 -7.71832821e+00 -8.27855330e+00 -8.05472609e+00 26 -5.98730274e+00 6.55263016e+00 9.86005593e+00 27 7.65528703e+00 -3.14672557e+00 8.58578619e+00 28 -6.93255835e+00 1.07157032e+01 4.59707658e+00 29 4.09107507e+01 1.74397124e+01 1.77781019e+01 30 8.49696342e+00 3.71217995e+00 7.94837698e-01 31 8.82450386e+00 -1.70542629e+00 1.02166159e+00 32 -6.62105907e+00 4.78561301e+00 4.14870672e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -34.08770916051536 Forces: 1 -1.85394663e+00 -2.49309312e+00 -2.25763039e+00 2 7.31432061e-01 -2.40390636e+00 -9.84110005e+00 3 -2.06101712e+00 -1.23295600e+01 -5.25452737e+00 4 -1.64404030e+01 3.32274943e+00 -6.18721944e+00 5 -4.21239742e-01 -2.94216607e+00 -8.99187641e+00 6 3.63678956e+00 -2.20499577e+00 -4.64883471e+00 7 1.38544926e+01 -9.21452868e+00 -7.59679481e+00 8 4.56620316e+00 2.15821658e-01 -6.05550220e+00 9 -6.57428783e+00 2.28184938e+00 -4.77062987e+00 10 1.04894380e+00 3.75719258e+00 -4.67258768e+00 11 -4.83572887e+00 9.69107400e+00 -4.02583566e+00 12 -3.80209537e+00 4.47388277e+00 2.47712852e+00 13 -8.85717984e+00 -7.61291373e+00 -1.46305228e+01 14 1.12661178e+01 7.89287070e+00 -1.04277213e+01 15 1.46677988e+01 -4.31027849e+00 3.71446754e+00 16 -5.68603857e+00 1.70262218e+01 4.04969777e+00 17 -1.19846596e+01 -1.29618807e+01 -5.23187389e-01 18 5.69420535e+00 -3.08265031e+00 2.24689159e+00 19 5.86879721e+00 -1.19833164e+01 9.86227385e+00 20 -1.24848347e+01 4.81742115e+00 1.06552259e+01 21 -6.18796784e+00 -1.75301065e+01 3.61846396e+00 22 1.27815238e+01 6.41265337e+00 2.84150256e+00 23 4.62422637e+00 -5.21959756e+00 5.84679231e+00 24 8.14495797e-01 -1.02428215e+00 1.27434636e+01 25 -8.77341292e+00 4.12915689e+00 3.20012012e-01 26 -2.46405935e+00 8.56482573e+00 2.48760439e-02 27 -2.54261534e+00 2.95163472e+00 1.03416393e+01 28 -1.40334546e+00 2.29188785e+00 2.47928674e+00 29 4.29257008e+00 3.56825038e+00 2.59224087e+00 30 5.78955294e+00 7.12216449e+00 4.80098190e+00 31 5.76709783e+00 1.64991095e+00 5.63245122e+00 32 9.68585034e-01 5.14370800e+00 5.63657449e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -34.08770916051536 Forces: 1 -1.85394663e+00 -2.49309312e+00 -2.25763039e+00 2 7.31432061e-01 -2.40390636e+00 -9.84110005e+00 3 -2.06101712e+00 -1.23295600e+01 -5.25452737e+00 4 -1.64404030e+01 3.32274943e+00 -6.18721944e+00 5 -4.21239742e-01 -2.94216607e+00 -8.99187641e+00 6 3.63678956e+00 -2.20499577e+00 -4.64883471e+00 7 1.38544926e+01 -9.21452868e+00 -7.59679481e+00 8 4.56620316e+00 2.15821658e-01 -6.05550220e+00 9 -6.57428783e+00 2.28184938e+00 -4.77062987e+00 10 1.04894380e+00 3.75719258e+00 -4.67258768e+00 11 -4.83572887e+00 9.69107400e+00 -4.02583566e+00 12 -3.80209537e+00 4.47388277e+00 2.47712852e+00 13 -8.85717984e+00 -7.61291373e+00 -1.46305228e+01 14 1.12661178e+01 7.89287070e+00 -1.04277213e+01 15 1.46677988e+01 -4.31027849e+00 3.71446754e+00 16 -5.68603857e+00 1.70262218e+01 4.04969777e+00 17 -1.19846596e+01 -1.29618807e+01 -5.23187389e-01 18 5.69420535e+00 -3.08265031e+00 2.24689159e+00 19 5.86879721e+00 -1.19833164e+01 9.86227385e+00 20 -1.24848347e+01 4.81742115e+00 1.06552259e+01 21 -6.18796784e+00 -1.75301065e+01 3.61846396e+00 22 1.27815238e+01 6.41265337e+00 2.84150256e+00 23 4.62422637e+00 -5.21959756e+00 5.84679231e+00 24 8.14495797e-01 -1.02428215e+00 1.27434636e+01 25 -8.77341292e+00 4.12915689e+00 3.20012012e-01 26 -2.46405935e+00 8.56482573e+00 2.48760439e-02 27 -2.54261534e+00 2.95163472e+00 1.03416393e+01 28 -1.40334546e+00 2.29188785e+00 2.47928674e+00 29 4.29257008e+00 3.56825038e+00 2.59224087e+00 30 5.78955294e+00 7.12216449e+00 4.80098190e+00 31 5.76709783e+00 1.64991095e+00 5.63245122e+00 32 9.68585034e-01 5.14370800e+00 5.63657449e+00 MIXED STRUCTURE (pbc=False)-- Species = H Ni V (Configuration in file "config-F-HNiV.xyz") ----------------------------------------------------------------------------------------------------- Energy = -67.46353500084011 Forces: 1 -1.07313495e+01 -1.07579160e+01 -1.68284598e+01 2 9.86164472e-01 9.71332341e+00 -2.57393429e+01 3 1.16485845e+01 -2.24734628e+01 1.72285105e+01 4 -1.59423730e+01 -3.75793652e+00 1.53202056e+01 5 -1.02689653e+00 1.02775567e-01 -6.42096392e-01 6 9.00081190e+00 -4.12411926e+00 -1.34935969e+01 7 3.22298285e+00 -4.49799744e+00 3.05496889e+00 8 6.74779853e-01 5.23600022e+00 1.43999329e+01 9 -3.55364098e+00 8.41907346e+00 -1.16659229e+01 10 7.05579920e+00 2.64273056e+00 -6.86533575e+00 11 -1.05224143e-01 1.38243623e+00 2.67582029e+00 12 -6.62838255e+00 2.15668205e+00 7.10340843e+00 13 2.14742366e+00 1.15863592e+00 -1.95130054e+00 14 -5.09298401e-01 1.34168427e+00 -2.69262628e-01 15 7.21881317e+00 -3.36914984e-01 -9.27209994e-01 16 -1.03309962e+01 3.09207306e+00 -5.18333545e+00 17 -8.45644868e-01 3.04616854e-01 1.48001917e+00 18 1.00537082e+01 -4.81652405e+00 -5.74342384e+00 19 3.36237857e-03 3.58323640e-01 1.18828607e+00 20 -1.07982678e+01 -9.09577765e+00 5.87177789e+00 21 -1.20080178e+00 -5.53440626e-03 1.02073479e+00 22 6.92280724e-01 1.28007969e+00 5.08993118e-01 23 6.84758880e+00 -8.03754416e+00 5.76166389e-01 24 -3.52613147e+00 7.88889228e+00 -2.27326594e-02 25 -9.54420042e+00 8.91777891e+00 -2.00517705e+00 26 -1.72841009e-01 -4.17165723e-01 -2.95798479e-01 27 1.41613879e+01 4.26739852e+00 1.03516230e+01 28 -4.42060293e+00 7.91359990e+00 -1.18907440e-01 29 1.39073813e-01 3.49800068e-01 -2.46079262e-01 30 5.08530373e+00 3.51834106e+00 1.15081851e+01 31 -1.67081430e+00 -4.82758211e-01 -2.11468500e-01 32 2.06940073e+00 -1.24059437e+00 -7.91814432e-02 MIXED STRUCTURE (pbc=True)-- Species = H Ni V (Configuration in file "config-T-HNiV.xyz") ----------------------------------------------------------------------------------------------------- Energy = -53.16331530014492 Forces: 1 -1.12677561e+01 -3.64946466e+00 -1.15591063e+01 2 4.98723624e+00 6.10099013e+00 -1.93352821e+01 3 1.39366524e+01 -1.70333157e+01 1.99255975e+01 4 -7.34137890e+00 -3.26879798e+00 1.84086110e+01 5 -2.87402764e-01 8.37487117e-02 -8.71333696e-03 6 1.84685258e+00 -2.17174401e+00 -1.09690900e+00 7 6.13329142e-01 -1.78421739e+00 2.47971309e+00 8 1.65415595e+00 5.10114762e+00 1.33012938e+01 9 -9.17905989e+00 1.15169312e+01 7.44986565e+00 10 1.50931359e+01 -6.86691667e+00 -3.76140911e+00 11 -5.62994428e-01 1.26849691e+00 2.55210692e+00 12 -2.86782499e+00 4.04031660e-01 8.59218356e+00 13 2.61493535e+00 1.07452656e+00 -1.65823635e+00 14 8.01127596e-01 3.15918578e+00 -3.52065113e+00 15 3.19776601e-02 -2.87078554e+00 -8.88557995e-01 16 -1.36801854e+01 1.50396410e+00 -3.94338994e+00 17 -4.46888503e-01 -5.83909450e-01 9.87030263e-01 18 9.02027252e+00 -5.56548029e+00 -5.90975982e+00 19 -7.86634045e-01 -4.26814137e-01 8.99203462e-01 20 -5.45282688e+00 -8.66183008e+00 -2.34133004e+00 21 -8.15625091e-01 -7.21966858e-01 1.22264864e+00 22 5.89349988e-01 7.08930484e-01 4.70559385e-01 23 -3.23736170e+00 -1.73320629e+01 -5.68945651e+00 24 -8.84264210e+00 7.98798379e+00 -6.29049635e+00 25 -7.31331154e+00 8.18396179e+00 -4.00087118e+00 26 -2.91939701e-01 -8.57432333e-01 -3.23935954e-01 27 2.54642245e+01 1.02193042e+01 -1.10884786e+01 28 -3.20826415e+00 9.00838859e+00 -7.99500796e+00 29 2.82878385e-01 4.61183939e-01 -1.56496020e-01 30 2.54278605e+00 3.70211405e+00 1.50471903e+01 31 -5.24570916e+00 2.24706705e+00 -1.66298249e+00 32 1.34889102e+00 -9.37218601e-01 -1.04933367e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==142773== Memcheck, a memory error detector ==142773== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==142773== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==142773== Command: python runner2.py MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_001 ==142773== ==143911== Warning: invalid file descriptor 255988 in syscall close() ==143911== Warning: invalid file descriptor 255989 in syscall close() ==143911== Warning: invalid file descriptor 255990 in syscall close() ==143911== Warning: invalid file descriptor 255991 in syscall close() ==143911== Use --log-fd= to select an alternative log fd. ==143911== Warning: invalid file descriptor 255992 in syscall close() ==143911== Warning: invalid file descriptor 255993 in syscall close() ==142773== Mismatched free() / delete / delete [] ==142773== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142773== by 0x119B9E39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A7154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x3C4C1F1E: 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) ==142773== by 0x3C4C2E18: 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) ==142773== by 0x3C4C7762: 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) ==142773== by 0x3C477246: 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) ==142773== by 0x29A714C7: 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) ==142773== by 0x29A852E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142773== Address 0x44adc720 is 0 bytes inside a block of size 1,024 alloc'd ==142773== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142773== by 0x119B9DB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A7154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x3C4C1F1E: 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) ==142773== by 0x3C4C2E18: 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) ==142773== by 0x3C4C7762: 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) ==142773== by 0x3C477246: 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) ==142773== by 0x29A714C7: 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) ==142773== by 0x29A852E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142773== ==142773== Mismatched free() / delete / delete [] ==142773== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142773== by 0x119B98DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A71578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x3C4C1F1E: 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) ==142773== by 0x3C4C2E18: 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) ==142773== by 0x3C4C7762: 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) ==142773== by 0x3C477246: 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) ==142773== by 0x29A714C7: 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) ==142773== by 0x29A852E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142773== Address 0x44addf30 is 0 bytes inside a block of size 1,024 alloc'd ==142773== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142773== by 0x119B98BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A71578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-367e8bed-0e70-43b2-944d-90a481b9a17d-007-dd21e511-25c1-4679-b464-cc9198a7ec7b/VC_561022993723_003-and-MO_612225165948_001-1657579472/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142773== by 0x3C4C1F1E: 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) ==142773== by 0x3C4C2E18: 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) ==142773== by 0x3C4C7762: 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) ==142773== by 0x3C477246: 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) ==142773== by 0x29A714C7: 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) ==142773== by 0x29A852E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142773== ==142773== ==142773== HEAP SUMMARY: ==142773== in use at exit: 2,203,207 bytes in 1,644 blocks ==142773== total heap usage: 118,757 allocs, 117,113 frees, 142,803,451 bytes allocated ==142773== ==142773== LEAK SUMMARY: ==142773== definitely lost: 0 bytes in 0 blocks ==142773== indirectly lost: 0 bytes in 0 blocks ==142773== possibly lost: 198,622 bytes in 101 blocks ==142773== still reachable: 2,004,553 bytes in 1,542 blocks ==142773== suppressed: 32 bytes in 1 blocks ==142773== Rerun with --leak-check=full to see details of leaked memory ==142773== ==142773== For lists of detected and suppressed errors, rerun with: -s ==142773== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 9395 from 557) ================================================================================ 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.