Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:03:44) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HowellsMishin_2018_Cr__SM_884076133432_000 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -46.59246035881276 Forces: 1 -2.45176951e+00 -2.32382730e+00 -4.12547995e+00 2 -1.90593909e+00 3.96069651e+00 -3.88781848e+00 3 2.54076474e+00 -3.18185444e+00 3.77256473e+00 4 -2.95906683e+00 2.93272411e+00 1.46051400e+00 5 2.76922704e+00 -4.61268986e+00 -5.84006144e-01 6 1.54931252e+00 1.70447398e+00 -1.75653410e+00 7 1.50826083e+00 -9.96559622e+00 -9.25193148e+00 8 -5.28159354e+00 -4.77008235e+00 -7.67090693e-01 9 -5.82186884e+00 -5.32985465e+00 -6.95699949e+00 10 4.89929957e+00 7.91182462e+00 -4.08117595e+00 11 -9.92945747e-01 -4.51032522e+00 4.99306369e+00 12 -4.67830445e+00 4.78240459e+00 3.71180322e+00 13 -3.64157541e+00 -4.95340568e+00 -1.67419639e+01 14 3.33797234e+00 3.50191462e+00 -3.72489033e+00 15 1.60101907e+01 -7.73361356e+00 1.83759258e+00 16 -6.99624107e+00 1.43208064e+01 2.18408801e+00 17 -4.99336223e+00 -3.85241739e+00 -2.73634920e+00 18 3.52141973e+00 2.75787636e+00 -7.06610238e-01 19 2.65378192e+00 -4.88345180e+00 2.61722309e+00 20 -2.40784077e+00 3.84360920e+00 2.76832954e+00 21 -6.19363430e+00 -3.92838886e+00 1.46528470e+00 22 7.47555650e+00 9.32071208e+00 7.13666573e+00 23 1.23867462e+00 -1.10515886e-01 3.01147848e+00 24 1.44111852e+00 1.85474156e+00 1.61248560e+00 25 -3.07805630e+00 -1.81150876e+00 1.29566140e+00 26 -4.71504319e+00 7.55065301e+00 -5.79268605e+00 27 4.50519160e+00 -1.19897495e+01 3.45658578e+00 28 -9.02259784e+00 8.02946957e+00 8.27907098e-01 29 -2.12619287e+00 -5.51288554e+00 4.20353551e+00 30 5.13149653e+00 5.64019294e+00 5.03473048e+00 31 4.79092944e+00 -3.57265525e+00 2.69450167e+00 32 3.89283535e+00 4.93072274e+00 7.02952066e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -46.59246035881276 Forces: 1 -2.45176951e+00 -2.32382730e+00 -4.12547995e+00 2 -1.90593909e+00 3.96069651e+00 -3.88781848e+00 3 2.54076474e+00 -3.18185444e+00 3.77256473e+00 4 -2.95906683e+00 2.93272411e+00 1.46051400e+00 5 2.76922704e+00 -4.61268986e+00 -5.84006144e-01 6 1.54931252e+00 1.70447398e+00 -1.75653410e+00 7 1.50826083e+00 -9.96559622e+00 -9.25193148e+00 8 -5.28159354e+00 -4.77008235e+00 -7.67090693e-01 9 -5.82186884e+00 -5.32985465e+00 -6.95699949e+00 10 4.89929957e+00 7.91182462e+00 -4.08117595e+00 11 -9.92945747e-01 -4.51032522e+00 4.99306369e+00 12 -4.67830445e+00 4.78240459e+00 3.71180322e+00 13 -3.64157541e+00 -4.95340568e+00 -1.67419639e+01 14 3.33797234e+00 3.50191462e+00 -3.72489033e+00 15 1.60101907e+01 -7.73361356e+00 1.83759258e+00 16 -6.99624107e+00 1.43208064e+01 2.18408801e+00 17 -4.99336223e+00 -3.85241739e+00 -2.73634920e+00 18 3.52141973e+00 2.75787636e+00 -7.06610238e-01 19 2.65378192e+00 -4.88345180e+00 2.61722309e+00 20 -2.40784077e+00 3.84360920e+00 2.76832954e+00 21 -6.19363430e+00 -3.92838886e+00 1.46528470e+00 22 7.47555650e+00 9.32071208e+00 7.13666573e+00 23 1.23867462e+00 -1.10515886e-01 3.01147848e+00 24 1.44111852e+00 1.85474156e+00 1.61248560e+00 25 -3.07805630e+00 -1.81150876e+00 1.29566140e+00 26 -4.71504319e+00 7.55065301e+00 -5.79268605e+00 27 4.50519160e+00 -1.19897495e+01 3.45658578e+00 28 -9.02259784e+00 8.02946957e+00 8.27907098e-01 29 -2.12619287e+00 -5.51288554e+00 4.20353551e+00 30 5.13149653e+00 5.64019294e+00 5.03473048e+00 31 4.79092944e+00 -3.57265525e+00 2.69450167e+00 32 3.89283535e+00 4.93072274e+00 7.02952066e+00 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 19:04:58) ===