Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:03:35) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000 Supported species : Au Rh random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 910.5076768695154 Forces: 1 -3.03913536e+01 -6.81438092e+01 -7.25014736e+01 2 -4.21962966e+01 4.48433790e+01 -5.68292554e+01 3 3.52027009e+01 -8.07594695e+01 -4.49976164e+01 4 -4.45448328e+01 3.81199848e+01 3.04613587e+01 5 2.77735359e+01 -1.00702067e+02 -3.18369925e+01 6 3.66148848e+01 2.34807889e+01 -4.56523854e+01 7 8.20407759e+01 -1.82689101e+02 -1.50701732e+02 8 -1.11999453e+02 -8.76717069e+01 -3.32292692e+01 9 -9.83151022e+01 -6.01830726e+01 -1.43889881e+02 10 -3.05888941e+01 1.65549780e+02 -1.53943220e+02 11 -2.57672005e+01 -1.24506792e+02 9.16636923e+01 12 -8.35664950e+01 1.32774051e+02 6.22143957e+00 13 -1.06287867e+01 -9.69757953e+01 -2.72976720e+02 14 6.22013989e+01 8.26916137e+01 -5.21427272e+01 15 2.50440381e+02 -6.01476844e+01 2.99455641e+01 16 3.80286624e+01 2.17175820e+02 8.48989194e+01 17 -1.22292057e+02 -6.35096048e+01 -3.45664521e+01 18 2.93281883e+01 9.55379129e+01 3.29578727e+00 19 6.13762894e+01 -8.55525444e+01 7.44184541e+01 20 -4.68063254e+01 6.34633093e+01 6.08998715e+01 21 -1.03935460e+02 -6.73993748e+01 6.24017877e+01 22 1.41104265e+02 1.35173310e+02 1.33904194e+02 23 3.10958462e+01 -1.08779477e+01 4.82519626e+01 24 4.45657501e+01 -4.34200006e+01 4.18475092e+01 25 -7.37013759e+01 -6.08569601e+01 9.10594023e+01 26 -5.73431032e+01 1.44999544e+02 -7.00938100e+01 27 7.22822643e+00 -1.67250787e+02 7.36290601e+01 28 -1.59026139e+02 1.28960230e+02 3.13981754e+01 29 -6.58018533e+01 -7.49434856e+01 5.96929045e+01 30 6.99109854e+01 1.13941484e+02 2.89398314e+01 31 1.23699626e+02 -6.68157746e+01 9.08653044e+01 32 6.62932119e+01 1.15694768e+02 1.19566316e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 910.5076768695154 Forces: 1 -3.03913536e+01 -6.81438092e+01 -7.25014736e+01 2 -4.21962966e+01 4.48433790e+01 -5.68292554e+01 3 3.52027009e+01 -8.07594695e+01 -4.49976164e+01 4 -4.45448328e+01 3.81199848e+01 3.04613587e+01 5 2.77735359e+01 -1.00702067e+02 -3.18369925e+01 6 3.66148848e+01 2.34807889e+01 -4.56523854e+01 7 8.20407759e+01 -1.82689101e+02 -1.50701732e+02 8 -1.11999453e+02 -8.76717069e+01 -3.32292692e+01 9 -9.83151022e+01 -6.01830726e+01 -1.43889881e+02 10 -3.05888941e+01 1.65549780e+02 -1.53943220e+02 11 -2.57672005e+01 -1.24506792e+02 9.16636923e+01 12 -8.35664950e+01 1.32774051e+02 6.22143957e+00 13 -1.06287867e+01 -9.69757953e+01 -2.72976720e+02 14 6.22013989e+01 8.26916137e+01 -5.21427272e+01 15 2.50440381e+02 -6.01476844e+01 2.99455641e+01 16 3.80286624e+01 2.17175820e+02 8.48989194e+01 17 -1.22292057e+02 -6.35096048e+01 -3.45664521e+01 18 2.93281883e+01 9.55379129e+01 3.29578727e+00 19 6.13762894e+01 -8.55525444e+01 7.44184541e+01 20 -4.68063254e+01 6.34633093e+01 6.08998715e+01 21 -1.03935460e+02 -6.73993748e+01 6.24017877e+01 22 1.41104265e+02 1.35173310e+02 1.33904194e+02 23 3.10958462e+01 -1.08779477e+01 4.82519626e+01 24 4.45657501e+01 -4.34200006e+01 4.18475092e+01 25 -7.37013759e+01 -6.08569601e+01 9.10594023e+01 26 -5.73431032e+01 1.44999544e+02 -7.00938100e+01 27 7.22822643e+00 -1.67250787e+02 7.36290601e+01 28 -1.59026139e+02 1.28960230e+02 3.13981754e+01 29 -6.58018533e+01 -7.49434856e+01 5.96929045e+01 30 6.99109854e+01 1.13941484e+02 2.89398314e+01 31 1.23699626e+02 -6.68157746e+01 9.08653044e+01 32 6.62932119e+01 1.15694768e+02 1.19566316e+02 MONOATOMIC STRUCTURE (pbc=False)-- Species = Rh (Configuration in file "config-F-Rh.xyz") ----------------------------------------------------------------------------------------------------- Energy = 382.73943436090354 Forces: 1 -2.51165385e+01 -1.85950686e+01 -2.32701870e+01 2 -4.13382796e-01 1.03543332e+01 -1.75336755e+02 3 3.28339557e+01 -8.15890267e+01 -1.30089939e+01 4 -1.28121533e+02 -2.61760708e+00 4.95825960e+01 5 -1.44693641e+01 -2.32168685e+01 -2.63866402e+01 6 5.23648276e+01 -5.60633050e+01 -5.15212629e+01 7 1.06162880e+02 -3.03807050e+01 -6.93133242e+01 8 7.84198154e+01 5.67274269e+00 7.12979227e+01 9 -5.57189525e+01 -4.79408722e+01 -3.56585371e+01 10 2.81418777e+01 6.33266784e+01 -6.08131106e+01 11 5.00218545e+01 3.99964397e+01 -1.24899189e+01 12 -2.22824615e+01 3.65777417e+01 2.42209807e+01 13 -5.27348453e+01 -1.87335707e+01 -3.33493279e+01 14 4.19201287e+01 4.51265879e+01 -9.38938796e+00 15 8.47438001e+01 9.36485836e+01 -1.10472588e+02 16 3.20943865e+01 6.35210851e+01 3.23505295e+00 17 -4.69502800e+01 -1.58235419e+01 2.55807815e+01 18 3.57827036e+01 -6.45478107e+01 -2.90614209e+01 19 5.23531055e+01 -7.75273542e+01 -1.01598018e+00 20 -7.44676366e+01 4.85588035e+01 4.84583859e+01 21 -7.80393644e+01 -4.12575020e+01 7.58789592e+01 22 4.36706104e+01 -1.41409273e+02 1.11570994e+02 23 3.54488438e+01 -3.69635809e+01 2.14466069e+00 24 -8.67745648e+01 -4.39723537e+01 1.76763831e+01 25 -9.72922892e+01 -1.20575613e+00 4.51609047e+00 26 -5.17338214e+01 6.69276102e+01 -1.01804800e+02 27 -2.27304107e+01 -5.80928706e+01 9.10371768e+01 28 -3.05832819e+01 3.95794403e+01 4.67173556e+01 29 -7.95383857e+01 4.71216955e+01 2.89938102e+01 30 2.14591142e+01 5.65543671e+01 2.75087063e+01 31 7.11632502e+01 8.05942764e+01 4.21489881e+01 32 1.00385958e+02 6.23766819e+01 8.23233900e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Rh (Configuration in file "config-T-Rh.xyz") ----------------------------------------------------------------------------------------------------- Energy = 382.73943436090354 Forces: 1 -2.51165385e+01 -1.85950686e+01 -2.32701870e+01 2 -4.13382796e-01 1.03543332e+01 -1.75336755e+02 3 3.28339557e+01 -8.15890267e+01 -1.30089939e+01 4 -1.28121533e+02 -2.61760708e+00 4.95825960e+01 5 -1.44693641e+01 -2.32168685e+01 -2.63866402e+01 6 5.23648276e+01 -5.60633050e+01 -5.15212629e+01 7 1.06162880e+02 -3.03807050e+01 -6.93133242e+01 8 7.84198154e+01 5.67274269e+00 7.12979227e+01 9 -5.57189525e+01 -4.79408722e+01 -3.56585371e+01 10 2.81418777e+01 6.33266784e+01 -6.08131106e+01 11 5.00218545e+01 3.99964397e+01 -1.24899189e+01 12 -2.22824615e+01 3.65777417e+01 2.42209807e+01 13 -5.27348453e+01 -1.87335707e+01 -3.33493279e+01 14 4.19201287e+01 4.51265879e+01 -9.38938796e+00 15 8.47438001e+01 9.36485836e+01 -1.10472588e+02 16 3.20943865e+01 6.35210851e+01 3.23505295e+00 17 -4.69502800e+01 -1.58235419e+01 2.55807815e+01 18 3.57827036e+01 -6.45478107e+01 -2.90614209e+01 19 5.23531055e+01 -7.75273542e+01 -1.01598018e+00 20 -7.44676366e+01 4.85588035e+01 4.84583859e+01 21 -7.80393644e+01 -4.12575020e+01 7.58789592e+01 22 4.36706104e+01 -1.41409273e+02 1.11570994e+02 23 3.54488438e+01 -3.69635809e+01 2.14466069e+00 24 -8.67745648e+01 -4.39723537e+01 1.76763831e+01 25 -9.72922892e+01 -1.20575613e+00 4.51609047e+00 26 -5.17338214e+01 6.69276102e+01 -1.01804800e+02 27 -2.27304107e+01 -5.80928706e+01 9.10371768e+01 28 -3.05832819e+01 3.95794403e+01 4.67173556e+01 29 -7.95383857e+01 4.71216955e+01 2.89938102e+01 30 2.14591142e+01 5.65543671e+01 2.75087063e+01 31 7.11632502e+01 8.05942764e+01 4.21489881e+01 32 1.00385958e+02 6.23766819e+01 8.23233900e+01 MIXED STRUCTURE (pbc=False)-- Species = Au Rh (Configuration in file "config-F-AuRh.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1227.545238165793 Forces: 1 -2.19223939e+02 -2.74057966e+02 -1.34638390e+02 2 2.71227998e+02 1.75995067e+02 -2.14283644e+02 3 -4.49477955e+01 -1.60356346e+02 1.86258682e+02 4 -1.40431814e+02 7.09060036e+01 1.82812012e+02 5 7.49243416e+01 -7.91476350e+01 -1.41253457e+02 6 6.75518606e+01 4.59425932e+01 -1.01827098e+02 7 1.54073944e+02 -7.27607188e+01 -3.68890417e+01 8 1.12429354e+01 -4.59934250e+01 -3.42582255e+01 9 -1.05598169e+02 1.24010515e+02 -5.42178194e+01 10 -1.02198045e+02 5.08443625e+01 -1.62037010e+02 11 -4.19699058e+01 -1.74223889e+02 -1.46832699e+02 12 -9.89189752e+01 1.92799636e+02 -1.09386177e+02 13 5.55514669e+01 -5.94122879e+01 -1.67659787e+02 14 1.25781368e+01 2.28358830e+01 -1.87737844e+01 15 5.22821581e+01 2.02504532e+01 2.84106031e+01 16 1.47093326e+02 2.72275166e+02 4.38714051e+01 17 -1.72534321e+02 -2.82725671e+02 -1.39809538e+02 18 1.17971213e+02 1.44473306e+02 -1.88595553e+02 19 1.56150337e+02 -2.37985185e+02 1.79097807e+02 20 -2.35996202e+02 1.79427668e+02 2.25099941e+02 21 -1.17781467e+02 -1.76216473e+02 7.53509797e+01 22 2.25104076e+02 1.09540989e+02 -1.42532486e+02 23 5.33008438e+01 -8.84744487e+01 6.66857255e+01 24 -1.48064957e+02 7.05228305e+01 1.96112965e+02 25 -2.04713977e+02 -1.13806396e+02 1.18552460e+02 26 -1.79109337e+02 2.48548935e+02 -2.02967236e+01 27 4.80279242e+01 -3.38818379e-01 1.33620405e+02 28 -3.10771532e+01 4.01967400e+01 2.23475034e+01 29 1.82437421e+02 -1.24195518e+02 1.22341969e+02 30 5.58816782e+01 4.41209009e+01 -2.95764254e+01 31 3.01085332e+01 2.09234387e+01 6.54557448e+01 32 1.27057863e+02 5.60802903e+01 1.96849658e+02 MIXED STRUCTURE (pbc=True)-- Species = Au Rh (Configuration in file "config-T-AuRh.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1595.667463985016 Forces: 1 -1.14196326e+02 -2.89242560e+02 -1.12034730e+02 2 3.00061372e+02 1.87014212e+02 -1.06366934e+02 3 -7.82885180e+01 -6.59521348e+01 1.84812288e+02 4 1.31033456e+02 1.75994630e+02 2.38494116e+02 5 4.52131596e+01 -2.33874088e+01 -1.42425580e+02 6 -1.63634092e+02 5.76793552e+01 -1.38234256e+02 7 -3.63997367e+01 -1.71982780e+02 1.20095789e+01 8 1.01199519e+01 -4.57281920e+01 -3.33674984e+01 9 8.82384848e+01 1.49070933e+02 -6.92296898e+01 10 -7.64178244e+01 3.41089457e+01 -1.18202291e+02 11 -4.20646321e+01 -1.74606988e+02 -1.45932292e+02 12 -5.60765088e+01 1.80435845e+02 -1.02485395e+02 13 5.17981667e+01 -6.11088392e+01 -1.59741017e+02 14 1.03113100e+01 -3.25379391e+01 -2.50968137e+01 15 -1.35707742e+02 3.35522702e+01 6.81996728e+01 16 1.74174977e+02 1.46661686e+02 5.64710631e+01 17 -1.40427219e+02 -2.52100282e+02 -1.54557754e+02 18 1.18097514e+02 1.44967397e+02 -1.88621858e+02 19 1.72903275e+02 -2.30138382e+02 1.33505984e+02 20 -2.16118964e+02 1.73333223e+02 1.25732991e+02 21 -1.15209449e+02 -1.36022748e+02 8.52544813e+01 22 1.94198489e+02 1.14899320e+02 -1.49001452e+02 23 2.27872899e+01 -9.94571488e+01 2.16051121e+01 24 -1.49997759e+02 7.42660127e+01 1.86584981e+02 25 -7.99036260e+01 -1.46611539e+02 1.45823956e+02 26 -1.77796820e+02 2.29831299e+02 -2.36020003e+01 27 6.31148532e+01 -5.31264823e+00 9.09189655e+01 28 -4.68767916e+01 -4.07024479e+00 -1.46044103e+00 29 1.81087859e+02 -1.24554811e+02 1.22174361e+02 30 -2.81383214e+01 6.63520364e+01 -4.34439368e+00 31 -4.06760466e+01 5.00669589e+01 1.36513827e+01 32 1.34790217e+02 4.45805226e+01 1.89465465e+02 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2022-11-29 19:04:25) ===