!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WangOhLee_2020_CuCo__MO_694335101831_001 Supported species : Co Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.618761813079765 Forces: 1 -3.15759840e+00 -9.15148252e+00 -9.45755701e+00 2 -2.65478469e+00 3.65027400e+00 -3.46478385e+00 3 4.73041159e+00 -4.75678488e+00 -7.63670837e-01 4 -3.49718869e+00 1.06995503e+01 7.64724389e+00 5 2.28977576e+00 -6.15993089e+00 -8.11765378e-01 6 2.24136595e+00 2.06236153e+00 -2.68336370e+00 7 3.75374848e+00 -1.58341300e+01 -1.38065370e+01 8 -1.44519232e+01 -1.48322251e+01 -1.98803204e+00 9 -4.69377284e+00 -2.21980700e+00 -5.09429514e+00 10 -4.88752509e+00 8.66337738e+00 -9.22817372e+00 11 -5.53343253e+00 -7.12226301e+00 2.28188024e+00 12 -3.51688318e+00 6.22230029e+00 -2.53897126e+00 13 -1.54162649e+00 -4.74403650e+00 -2.12139228e+01 14 3.24344002e+00 3.25494856e+00 -1.02695057e+00 15 2.44907484e+01 7.62032649e+00 1.96224403e+00 16 7.20869225e+00 1.64100622e+01 6.66487725e+00 17 -6.07811477e+00 -2.97317804e+00 -4.84677558e-01 18 2.32150096e-01 7.81460238e+00 -8.45752706e+00 19 -4.16202795e-01 -1.13061291e+01 5.90789262e+00 20 -4.03307854e+00 3.00399381e+00 3.53371052e+00 21 -5.68865698e+00 -6.20239086e+00 3.76535633e+00 22 1.14322715e+01 1.03917275e+01 1.19402951e+01 23 1.72790601e+00 -3.07970881e-01 3.36812873e+00 24 4.76187428e+00 3.65368020e+00 6.53062721e+00 25 -7.11609593e+00 -5.88818167e+00 2.87071273e+00 26 -4.19482128e+00 1.07330758e+01 -4.28784955e+00 27 6.36389734e+00 -1.67994388e+01 7.53052835e+00 28 -1.31692969e+01 1.16571571e+01 2.73089230e+00 29 -2.86185870e+00 -3.40455423e+00 6.20292793e+00 30 3.62216411e+00 6.95211798e+00 -4.66682913e+00 31 6.57530044e+00 -8.56220196e+00 9.11982942e+00 32 4.81911479e+00 7.47514993e+00 7.91776002e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.618761813079765 Forces: 1 -3.15759840e+00 -9.15148252e+00 -9.45755701e+00 2 -2.65478469e+00 3.65027400e+00 -3.46478385e+00 3 4.73041159e+00 -4.75678488e+00 -7.63670837e-01 4 -3.49718869e+00 1.06995503e+01 7.64724389e+00 5 2.28977576e+00 -6.15993089e+00 -8.11765378e-01 6 2.24136595e+00 2.06236153e+00 -2.68336370e+00 7 3.75374848e+00 -1.58341300e+01 -1.38065370e+01 8 -1.44519232e+01 -1.48322251e+01 -1.98803204e+00 9 -4.69377284e+00 -2.21980700e+00 -5.09429514e+00 10 -4.88752509e+00 8.66337738e+00 -9.22817372e+00 11 -5.53343253e+00 -7.12226301e+00 2.28188024e+00 12 -3.51688318e+00 6.22230029e+00 -2.53897126e+00 13 -1.54162649e+00 -4.74403650e+00 -2.12139228e+01 14 3.24344002e+00 3.25494856e+00 -1.02695057e+00 15 2.44907484e+01 7.62032649e+00 1.96224403e+00 16 7.20869225e+00 1.64100622e+01 6.66487725e+00 17 -6.07811477e+00 -2.97317804e+00 -4.84677558e-01 18 2.32150096e-01 7.81460238e+00 -8.45752706e+00 19 -4.16202795e-01 -1.13061291e+01 5.90789262e+00 20 -4.03307854e+00 3.00399381e+00 3.53371052e+00 21 -5.68865698e+00 -6.20239086e+00 3.76535633e+00 22 1.14322715e+01 1.03917275e+01 1.19402951e+01 23 1.72790601e+00 -3.07970881e-01 3.36812873e+00 24 4.76187428e+00 3.65368020e+00 6.53062721e+00 25 -7.11609593e+00 -5.88818167e+00 2.87071273e+00 26 -4.19482128e+00 1.07330758e+01 -4.28784955e+00 27 6.36389734e+00 -1.67994388e+01 7.53052835e+00 28 -1.31692969e+01 1.16571571e+01 2.73089230e+00 29 -2.86185870e+00 -3.40455423e+00 6.20292793e+00 30 3.62216411e+00 6.95211798e+00 -4.66682913e+00 31 6.57530044e+00 -8.56220196e+00 9.11982942e+00 32 4.81911479e+00 7.47514993e+00 7.91776002e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.2330559043029914 Forces: 1 -9.88422959e+00 -5.25098958e+00 -1.10459365e+01 2 -8.69683662e+00 7.72639582e+00 -1.65517410e+01 3 4.10818546e+00 -9.76435662e+00 1.42863631e+01 4 -7.38719690e+00 1.36828729e+00 -8.81971560e+00 5 1.48284926e+01 -1.21487002e+01 -9.98610785e+00 6 7.97347435e+00 -1.98608707e+01 -1.11595586e+01 7 6.03515745e+00 -1.66241501e+01 -1.59098594e+01 8 5.17506226e+00 4.30594756e+00 4.25014400e+00 9 -1.32089737e+01 -2.88612463e+00 -5.83991660e+00 10 3.76318182e+00 9.94692729e+00 -7.14938276e+00 11 9.49635376e-01 3.65779751e+00 1.01613776e+01 12 -1.70025801e+00 5.65040422e+00 -1.15281691e+00 13 -9.27296929e+00 6.95107116e+00 -1.06115056e+01 14 3.46361384e+00 2.61871160e+00 -1.00749532e+00 15 8.32941058e+00 1.49442245e+01 1.37793618e+01 16 1.03241420e+01 2.60159494e+00 -9.41265417e+00 17 -4.99056824e+00 -3.32641338e+00 9.58862785e+00 18 1.16533322e+00 -1.15140023e-01 4.87043703e+00 19 -3.23883380e+00 -1.42903063e+00 1.59544870e+00 20 -2.12384948e+00 -4.96235721e+00 6.87249823e+00 21 -9.93859825e+00 -7.90856417e+00 8.03318546e+00 22 1.35677581e+01 1.59433464e+01 7.18567557e+00 23 2.61099834e+00 -3.54441636e+00 5.14724623e+00 24 -1.41090489e+01 -1.54223909e+01 1.47049685e+01 25 -6.27817243e+00 7.16831654e+00 2.53348645e+00 26 -1.92313782e+01 6.19152796e+00 -1.02823419e+01 27 -2.04276330e+01 -2.64203963e+01 2.25043638e+01 28 -4.59044409e+00 2.87377069e+00 1.77353601e+00 29 -3.74753421e+00 -1.00341424e+01 -2.85444850e+01 30 3.48144845e+01 1.56472055e+01 -1.93135157e+01 31 1.63327876e+01 4.97292074e+00 1.03172236e+01 32 5.38480714e+00 2.71295933e+01 2.91830888e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.2330559043029914 Forces: 1 -9.88422959e+00 -5.25098958e+00 -1.10459365e+01 2 -8.69683662e+00 7.72639582e+00 -1.65517410e+01 3 4.10818546e+00 -9.76435662e+00 1.42863631e+01 4 -7.38719690e+00 1.36828729e+00 -8.81971560e+00 5 1.48284926e+01 -1.21487002e+01 -9.98610785e+00 6 7.97347435e+00 -1.98608707e+01 -1.11595586e+01 7 6.03515745e+00 -1.66241501e+01 -1.59098594e+01 8 5.17506226e+00 4.30594756e+00 4.25014400e+00 9 -1.32089737e+01 -2.88612463e+00 -5.83991660e+00 10 3.76318182e+00 9.94692729e+00 -7.14938276e+00 11 9.49635376e-01 3.65779751e+00 1.01613776e+01 12 -1.70025801e+00 5.65040422e+00 -1.15281691e+00 13 -9.27296929e+00 6.95107116e+00 -1.06115056e+01 14 3.46361384e+00 2.61871160e+00 -1.00749532e+00 15 8.32941058e+00 1.49442245e+01 1.37793618e+01 16 1.03241420e+01 2.60159494e+00 -9.41265417e+00 17 -4.99056824e+00 -3.32641338e+00 9.58862785e+00 18 1.16533322e+00 -1.15140023e-01 4.87043703e+00 19 -3.23883380e+00 -1.42903063e+00 1.59544870e+00 20 -2.12384948e+00 -4.96235721e+00 6.87249823e+00 21 -9.93859825e+00 -7.90856417e+00 8.03318546e+00 22 1.35677581e+01 1.59433464e+01 7.18567557e+00 23 2.61099834e+00 -3.54441636e+00 5.14724623e+00 24 -1.41090489e+01 -1.54223909e+01 1.47049685e+01 25 -6.27817243e+00 7.16831654e+00 2.53348645e+00 26 -1.92313782e+01 6.19152796e+00 -1.02823419e+01 27 -2.04276330e+01 -2.64203963e+01 2.25043638e+01 28 -4.59044409e+00 2.87377069e+00 1.77353601e+00 29 -3.74753421e+00 -1.00341424e+01 -2.85444850e+01 30 3.48144845e+01 1.56472055e+01 -1.93135157e+01 31 1.63327876e+01 4.97292074e+00 1.03172236e+01 32 5.38480714e+00 2.71295933e+01 2.91830888e+01 MIXED STRUCTURE (pbc=False)-- Species = Co Cu (Configuration in file "config-F-CoCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 20.999612538691604 Forces: 1 -8.36988483e+00 -6.47140072e+00 -1.00392544e+01 2 -1.52112973e+01 -8.62334454e+00 -1.21104743e+01 3 5.56316640e+00 -8.41701331e+00 1.05506428e+01 4 -1.31188230e+01 -4.54140003e+00 5.15588391e+00 5 -1.28747397e+01 -6.49016467e+00 -1.62349713e+01 6 5.90071489e+00 4.80964943e+00 -1.10445134e+01 7 1.66970327e+01 -1.18903695e+01 1.56072218e+01 8 -1.88164526e+01 -3.39284222e+01 2.10518092e+01 9 -7.67033414e+00 3.85407891e-01 -8.48600306e+00 10 7.51233604e+00 5.37126222e+00 -5.35225151e+00 11 3.03779778e+00 3.60187295e-01 -2.80489395e+00 12 -2.35436547e+01 1.34130640e+01 -1.98311114e+01 13 6.84202709e+00 3.17086249e+01 -3.27526292e+01 14 4.56287953e+00 2.90858269e+00 -5.60566894e+00 15 3.91829938e+01 1.87641805e+01 8.03584375e+00 16 -9.46263285e+00 5.77516396e+00 -2.20327003e+00 17 -1.48203826e+01 -1.74525604e+01 -6.19482026e+00 18 1.50149695e+01 9.74879629e+00 -1.19897531e+01 19 -2.63963279e-01 -5.95359717e+00 1.22813190e+01 20 -1.19388466e+01 6.71304876e+00 1.72357842e+01 21 3.27648402e+00 -8.54992817e+00 -8.72248064e+00 22 1.07644683e+01 4.47922001e+00 -4.75106480e+00 23 4.75444769e+00 -8.41673777e+00 6.77139131e+00 24 -4.62080531e+00 -9.19012525e+00 1.67611991e+01 25 -7.13586961e+00 -1.04058749e+01 6.41444586e+00 26 1.95154797e+01 9.28840423e+00 1.45286192e+01 27 -1.22780874e+01 -1.00690768e+01 1.15811416e+01 28 -5.42331056e+00 8.16522648e+00 6.11778891e+00 29 -2.94506607e+00 4.41657942e+00 -1.17890947e+01 30 1.00905841e+01 4.47509215e+00 3.51727382e-01 31 9.90826105e+00 3.06746648e+00 6.70317022e+00 32 5.87050805e+00 1.65500587e+01 1.07642667e+01 MIXED STRUCTURE (pbc=True)-- Species = Co Cu (Configuration in file "config-T-CoCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 32.58446026889753 Forces: 1 -1.11879977e+01 -6.42113699e+00 -1.31264131e+01 2 -1.37257551e+01 -6.31520558e+00 -6.81580424e+00 3 1.06137478e+01 -1.28556408e+00 2.03703865e+01 4 -5.81543299e+00 -4.19239670e+00 8.21667010e+00 5 -1.24649456e+01 -2.96006240e+00 -1.48986905e+01 6 4.29113891e-01 5.23618071e+00 -1.03321100e+01 7 1.55409676e+01 -9.90010356e+00 1.44542429e+01 8 -1.79000352e+01 -3.59588223e+01 2.17405949e+01 9 -5.37808185e+00 -1.09908237e+00 -6.90958938e+00 10 6.67531458e+00 3.51310022e+00 2.97361916e+00 11 4.04737930e+00 6.65690625e-01 -1.73477700e+00 12 -3.06178996e+01 1.00199253e+01 -2.54149068e+01 13 5.03217094e+00 3.06489788e+01 -2.77377309e+01 14 4.89268045e+00 1.04534211e+00 -4.79229197e+00 15 3.24301219e+01 2.07267281e+01 7.81181922e+00 16 -1.03539868e+01 1.53113708e-01 5.20568806e-01 17 -6.79284782e+00 -2.11255043e+01 -8.50592076e+00 18 1.63270184e+01 9.96345073e+00 -1.32978449e+01 19 2.09351430e+00 -6.75460181e+00 5.84803068e+00 20 -6.18734165e+00 8.01542647e+00 1.76662580e+01 21 2.10900655e+00 4.18135398e-01 -5.66018168e+00 22 -4.78077068e+00 5.71752230e+00 -1.04211298e+01 23 2.92346986e+00 -1.06374529e+01 7.06646959e+00 24 -5.75899586e+00 -1.00330673e+01 1.15693371e+01 25 -1.48869646e+00 -9.58187517e+00 6.00771544e+00 26 2.53957736e+01 3.45241838e+00 1.94257518e+01 27 -8.81409500e+00 -5.56703945e+00 7.29372258e+00 28 -6.96435052e+00 7.49058610e+00 2.11601683e+00 29 -3.26158479e+00 4.02675971e+00 -1.30701024e+01 30 8.66337062e+00 2.17656332e+00 -3.38349565e-01 31 6.39122627e+00 7.25879796e+00 4.78444167e+00 32 7.92794139e+00 1.13031949e+01 5.19019770e+00 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.