Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:54:07) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeShimBaskes_2003_Ni__MO_000553624872_000 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.984560563682399 Forces: 1 -7.88691639e+00 -6.85849315e+00 -1.13805245e+01 2 -5.45817935e+00 1.06551059e+01 -5.34235581e+00 3 6.79571868e+00 -6.69670374e+00 6.82281847e+00 4 -7.01381163e+00 6.11843678e+00 5.95653147e+00 5 4.17690134e+00 -1.49536175e+01 -2.06399972e+00 6 6.86539984e+00 7.54656155e+00 -6.08232275e+00 7 2.37704087e+00 -3.08389800e+01 -2.72211223e+01 8 -1.47003023e+01 -1.12270986e+01 -4.75623055e+00 9 -1.00142805e+01 -6.36830638e+00 -1.51261148e+01 10 -6.66377375e+00 1.85366437e+01 -1.89794010e+01 11 -3.35426854e+00 -1.19206031e+01 1.60435640e+01 12 -6.00946854e+00 8.34892879e+00 7.28875155e+00 13 -6.21326083e+00 -1.32825191e+01 -3.78140348e+01 14 5.19091728e+00 8.00673335e+00 -4.83928556e+00 15 3.35866629e+01 -6.22935779e+00 1.25551733e+01 16 7.55277201e+00 2.38726724e+01 1.42386863e+01 17 -9.10383216e+00 -5.80508660e+00 -7.07112295e+00 18 3.18818608e+00 7.76943516e+00 -5.77993787e+00 19 2.53619577e+00 -1.36316978e+01 7.44920132e+00 20 -4.27900301e+00 7.18480694e+00 6.23372217e+00 21 -1.31084166e+01 -9.55447043e+00 7.22663842e+00 22 2.12306451e+01 2.91845176e+01 2.14670445e+01 23 2.19228400e+00 -1.32011708e+00 7.01818830e+00 24 6.27398062e+00 5.68041310e+00 5.31039460e+00 25 -1.02545689e+01 -1.18662612e+01 -1.68765738e+01 26 -4.61401913e+00 1.33331300e+01 -1.07591771e+01 27 1.94731890e+01 -3.13722887e+01 1.45090238e+01 28 -2.81244247e+01 2.93062973e+01 1.31279106e+01 29 -8.52856317e+00 -7.89408336e+00 5.83717351e+00 30 5.35801055e+00 1.05192378e+01 -1.32968084e-01 31 1.13575415e+01 -9.99771783e+00 1.00182745e+01 32 7.17164407e+00 1.37544821e+01 1.31220748e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.984560563682399 Forces: 1 -7.88691639e+00 -6.85849315e+00 -1.13805245e+01 2 -5.45817935e+00 1.06551059e+01 -5.34235581e+00 3 6.79571868e+00 -6.69670374e+00 6.82281847e+00 4 -7.01381163e+00 6.11843678e+00 5.95653147e+00 5 4.17690134e+00 -1.49536175e+01 -2.06399972e+00 6 6.86539984e+00 7.54656155e+00 -6.08232275e+00 7 2.37704087e+00 -3.08389800e+01 -2.72211223e+01 8 -1.47003023e+01 -1.12270986e+01 -4.75623055e+00 9 -1.00142805e+01 -6.36830638e+00 -1.51261148e+01 10 -6.66377375e+00 1.85366437e+01 -1.89794010e+01 11 -3.35426854e+00 -1.19206031e+01 1.60435640e+01 12 -6.00946854e+00 8.34892879e+00 7.28875155e+00 13 -6.21326083e+00 -1.32825191e+01 -3.78140348e+01 14 5.19091728e+00 8.00673335e+00 -4.83928556e+00 15 3.35866629e+01 -6.22935779e+00 1.25551733e+01 16 7.55277201e+00 2.38726724e+01 1.42386863e+01 17 -9.10383216e+00 -5.80508660e+00 -7.07112295e+00 18 3.18818608e+00 7.76943516e+00 -5.77993787e+00 19 2.53619577e+00 -1.36316978e+01 7.44920132e+00 20 -4.27900301e+00 7.18480694e+00 6.23372217e+00 21 -1.31084166e+01 -9.55447043e+00 7.22663842e+00 22 2.12306451e+01 2.91845176e+01 2.14670445e+01 23 2.19228400e+00 -1.32011708e+00 7.01818830e+00 24 6.27398062e+00 5.68041310e+00 5.31039460e+00 25 -1.02545689e+01 -1.18662612e+01 -1.68765738e+01 26 -4.61401913e+00 1.33331300e+01 -1.07591771e+01 27 1.94731890e+01 -3.13722887e+01 1.45090238e+01 28 -2.81244247e+01 2.93062973e+01 1.31279106e+01 29 -8.52856317e+00 -7.89408336e+00 5.83717351e+00 30 5.35801055e+00 1.05192378e+01 -1.32968084e-01 31 1.13575415e+01 -9.99771783e+00 1.00182745e+01 32 7.17164407e+00 1.37544821e+01 1.31220748e+01 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 18:54:27) ===