Enter a model name: === Verification check vc-memory-leak start (2022-06-30 12:42:48) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KoLee_2013_VPdY__MO_046547823135_001 Supported species : Pd V Y random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.28801293858066 Forces: 1 -4.95394045e+00 -2.31106448e+01 -2.23681393e+01 2 -2.52507171e+01 1.73274771e+01 -2.36137670e+01 3 1.30271781e+01 -4.32172862e+01 -1.90192829e+01 4 -2.91269607e+01 1.88352745e+01 1.12549887e+01 5 2.07522131e+00 -4.64610760e+01 -9.17953914e+00 6 2.09003603e+01 1.68538388e+01 -2.32246719e+01 7 7.34163049e+00 -8.30581954e+01 -6.71704181e+01 8 -1.53955795e+01 -4.21024242e+01 2.29598862e+00 9 -3.30775586e+01 -1.87408265e+01 -4.16882006e+01 10 -8.59092226e+00 8.61909861e+01 -5.38648093e+01 11 -4.50166136e+01 -6.44576544e+01 4.84824062e+01 12 -4.12649134e+01 5.70806318e+01 -3.41917139e+00 13 5.55691298e+01 -1.82531340e+01 -7.70282801e+01 14 1.26272374e+01 1.85509299e+01 -1.07970693e+01 15 8.08482079e+01 -7.66555995e+00 -9.57763097e+00 16 2.13754409e+01 8.12567492e+01 -2.51586860e+01 17 -3.96758126e+01 -2.10626177e+01 -1.20944670e+01 18 9.35135317e+00 3.05205975e+01 1.46280461e+01 19 1.82532653e+01 -2.59569368e+01 2.23285719e+01 20 -1.49118113e+01 2.12286077e+01 1.98499219e+01 21 -3.80114223e+01 -2.87736104e+01 1.81157951e+01 22 6.14135090e+01 7.93673336e+01 6.20755830e+01 23 1.10690219e+01 -4.94465001e+00 1.73800596e+01 24 8.22751017e+00 5.30195305e-01 1.36581100e+01 25 -1.61327829e+01 -2.56995747e+01 2.74568847e+01 26 -6.84716778e+01 6.26258848e+01 -3.66320059e+00 27 4.96661609e+01 -1.12039379e+02 2.49008154e+01 28 -8.87678163e+01 8.60150434e+01 9.37778552e+00 29 -6.77240299e+00 -7.75161736e+01 1.64739355e+01 30 3.97870156e+01 3.95600463e+01 1.01079982e+01 31 3.37196005e+01 -2.29605494e+01 2.83240296e+01 32 3.01690891e+01 5.00766972e+01 5.51564133e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.28801293858066 Forces: 1 -4.95394045e+00 -2.31106448e+01 -2.23681393e+01 2 -2.52507171e+01 1.73274771e+01 -2.36137670e+01 3 1.30271781e+01 -4.32172862e+01 -1.90192829e+01 4 -2.91269607e+01 1.88352745e+01 1.12549887e+01 5 2.07522131e+00 -4.64610760e+01 -9.17953914e+00 6 2.09003603e+01 1.68538388e+01 -2.32246719e+01 7 7.34163049e+00 -8.30581954e+01 -6.71704181e+01 8 -1.53955795e+01 -4.21024242e+01 2.29598862e+00 9 -3.30775586e+01 -1.87408265e+01 -4.16882006e+01 10 -8.59092226e+00 8.61909861e+01 -5.38648093e+01 11 -4.50166136e+01 -6.44576544e+01 4.84824062e+01 12 -4.12649134e+01 5.70806318e+01 -3.41917139e+00 13 5.55691298e+01 -1.82531340e+01 -7.70282801e+01 14 1.26272374e+01 1.85509299e+01 -1.07970693e+01 15 8.08482079e+01 -7.66555995e+00 -9.57763097e+00 16 2.13754409e+01 8.12567492e+01 -2.51586860e+01 17 -3.96758126e+01 -2.10626177e+01 -1.20944670e+01 18 9.35135317e+00 3.05205975e+01 1.46280461e+01 19 1.82532653e+01 -2.59569368e+01 2.23285719e+01 20 -1.49118113e+01 2.12286077e+01 1.98499219e+01 21 -3.80114223e+01 -2.87736104e+01 1.81157951e+01 22 6.14135090e+01 7.93673336e+01 6.20755830e+01 23 1.10690219e+01 -4.94465001e+00 1.73800596e+01 24 8.22751017e+00 5.30195305e-01 1.36581100e+01 25 -1.61327829e+01 -2.56995747e+01 2.74568847e+01 26 -6.84716778e+01 6.26258848e+01 -3.66320059e+00 27 4.96661609e+01 -1.12039379e+02 2.49008154e+01 28 -8.87678163e+01 8.60150434e+01 9.37778552e+00 29 -6.77240299e+00 -7.75161736e+01 1.64739355e+01 30 3.97870156e+01 3.95600463e+01 1.01079982e+01 31 3.37196005e+01 -2.29605494e+01 2.83240296e+01 32 3.01690891e+01 5.00766972e+01 5.51564133e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -60.71862683760124 Forces: 1 -2.35174071e+00 -2.23113753e+00 -3.03151600e+00 2 -6.68819959e+00 -3.92877741e+00 -1.32046875e+01 3 2.56893758e+00 -1.47496423e+01 -4.46256290e+00 4 -1.38296515e+01 6.87283649e+00 -5.10865325e+00 5 5.56764742e-01 -3.98111462e+00 -4.72058727e+00 6 9.08843473e+00 -4.26735999e+00 -8.98208234e+00 7 6.92446939e+00 -4.96365457e+00 -2.10985660e+00 8 2.13659981e+00 -5.94449888e+00 9.82170885e-01 9 -1.90323773e+00 4.40437624e-01 -2.48460428e+00 10 -1.75523679e+00 2.96299844e+00 -3.85452040e+00 11 -8.08814409e+00 6.17708799e+00 1.17455690e+00 12 -3.17428662e+00 2.81860656e+00 -6.28285185e-01 13 -2.14000799e+00 3.01447157e+00 -1.49631066e+01 14 1.78100453e+00 3.21916713e+00 -2.54261686e+00 15 1.66717545e+01 4.53684817e+00 7.40941715e+00 16 7.81614095e-01 1.18780795e+01 -5.18582661e+00 17 -7.27470221e+00 -1.00625652e+01 3.99931628e+00 18 2.41564732e+00 3.99886378e+00 2.89690504e+00 19 1.06504493e+00 -6.29115180e+00 7.93748147e+00 20 -5.71313119e+00 9.09334920e-01 4.61725390e+00 21 5.63766070e-01 -8.34876278e+00 4.68551176e+00 22 6.79764253e+00 1.76398169e+00 3.04370684e+00 23 1.97706922e+00 -2.67913498e+00 1.55893180e+00 24 2.13754987e+00 8.16568600e-01 6.17278828e+00 25 -4.20948713e+00 2.27303268e+00 5.22909472e-01 26 -6.19033510e+00 7.89211053e+00 5.32353489e+00 27 -1.29109530e+00 3.02136780e+00 4.73566700e+00 28 -7.90839339e-01 9.36978212e-01 7.50493802e-01 29 1.91265215e+00 -2.54862837e+00 9.05360672e+00 30 6.11941269e+00 4.28995711e+00 1.99045125e+00 31 2.48355889e+00 -6.74285623e-01 1.38018443e+00 32 -5.81827705e-01 2.84798522e+00 3.04401785e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -60.71862683760124 Forces: 1 -2.35174071e+00 -2.23113753e+00 -3.03151600e+00 2 -6.68819959e+00 -3.92877741e+00 -1.32046875e+01 3 2.56893758e+00 -1.47496423e+01 -4.46256290e+00 4 -1.38296515e+01 6.87283649e+00 -5.10865325e+00 5 5.56764742e-01 -3.98111462e+00 -4.72058727e+00 6 9.08843473e+00 -4.26735999e+00 -8.98208234e+00 7 6.92446939e+00 -4.96365457e+00 -2.10985660e+00 8 2.13659981e+00 -5.94449888e+00 9.82170885e-01 9 -1.90323773e+00 4.40437624e-01 -2.48460428e+00 10 -1.75523679e+00 2.96299844e+00 -3.85452040e+00 11 -8.08814409e+00 6.17708799e+00 1.17455690e+00 12 -3.17428662e+00 2.81860656e+00 -6.28285185e-01 13 -2.14000799e+00 3.01447157e+00 -1.49631066e+01 14 1.78100453e+00 3.21916713e+00 -2.54261686e+00 15 1.66717545e+01 4.53684817e+00 7.40941715e+00 16 7.81614095e-01 1.18780795e+01 -5.18582661e+00 17 -7.27470221e+00 -1.00625652e+01 3.99931628e+00 18 2.41564732e+00 3.99886378e+00 2.89690504e+00 19 1.06504493e+00 -6.29115180e+00 7.93748147e+00 20 -5.71313119e+00 9.09334920e-01 4.61725390e+00 21 5.63766070e-01 -8.34876278e+00 4.68551176e+00 22 6.79764253e+00 1.76398169e+00 3.04370684e+00 23 1.97706922e+00 -2.67913498e+00 1.55893180e+00 24 2.13754987e+00 8.16568600e-01 6.17278828e+00 25 -4.20948713e+00 2.27303268e+00 5.22909472e-01 26 -6.19033510e+00 7.89211053e+00 5.32353489e+00 27 -1.29109530e+00 3.02136780e+00 4.73566700e+00 28 -7.90839339e-01 9.36978212e-01 7.50493802e-01 29 1.91265215e+00 -2.54862837e+00 9.05360672e+00 30 6.11941269e+00 4.28995711e+00 1.99045125e+00 31 2.48355889e+00 -6.74285623e-01 1.38018443e+00 32 -5.81827705e-01 2.84798522e+00 3.04401785e+00 ERROR: Unable to perform verification check. Message = std::bad_alloc === Verification check vc-memory-leak end (2022-06-30 12:42:52) ===