!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeBaskesKim_2001_W__MO_227263111062_001 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 200.03325577050688 Forces: 1 -1.60409786e+01 -2.52857177e+01 -3.04279498e+01 2 -7.66918087e+00 9.74966374e+00 -3.68529062e+01 3 1.48910725e+01 -3.61572096e+01 3.04285615e-01 4 -3.25574598e+01 2.22348488e+01 1.03147100e+01 5 1.15110041e+01 -3.71792798e+01 -1.30862078e+01 6 2.29947555e+01 -1.39348440e+01 -2.81258399e+01 7 2.07164662e+01 -4.27147690e+01 -2.91879557e+01 8 -1.08869973e+01 -3.39027883e+01 6.97981191e+00 9 -2.51203962e+01 -1.04929148e+01 -4.00362534e+01 10 -7.83059357e+00 4.95722187e+01 -4.56205078e+01 11 -2.63881033e+01 -2.72627232e+01 3.71752102e+00 12 -3.23438079e+01 3.15996657e+01 1.02021857e+01 13 -2.58165168e+01 2.06214977e+00 -9.12483142e+01 14 2.94458341e+01 3.44062492e+01 -2.41487039e+01 15 9.55349488e+01 -1.50374119e+01 2.53475193e+01 16 -3.36768254e+00 6.99274690e+01 1.34803988e+01 17 -3.55091826e+01 -1.45676306e+01 4.00997800e+00 18 -3.56869501e+00 2.21448299e+00 1.47148659e+01 19 9.70793308e+00 -1.99485179e+01 1.95529531e+01 20 -1.32262066e+01 1.14411521e+01 1.52985584e+01 21 -1.93740348e+01 -3.68287473e+01 1.15520856e+01 22 4.76752784e+01 2.71224729e+01 2.16729682e+01 23 1.61237495e+01 -1.00957632e+01 1.82825967e+01 24 -8.33734222e+00 -1.18914396e+00 2.28690574e+01 25 -3.66831149e+01 -1.29277200e+01 6.89513867e-01 26 -1.36730075e+01 5.68155755e+01 -1.08278367e+01 27 -7.10625556e+00 -3.93444186e+01 4.06611421e+01 28 -3.62589236e+01 2.56427282e+01 2.02140246e+01 29 8.82001706e+00 -2.41513698e+01 1.63906292e+01 30 2.64277892e+01 2.68998533e+01 1.45834089e+01 31 3.46668705e+01 -5.20437523e+00 2.00313016e+01 32 2.32427605e+01 3.65368149e+01 3.86929595e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 200.03325577050688 Forces: 1 -1.60409786e+01 -2.52857177e+01 -3.04279498e+01 2 -7.66918087e+00 9.74966374e+00 -3.68529062e+01 3 1.48910725e+01 -3.61572096e+01 3.04285615e-01 4 -3.25574598e+01 2.22348488e+01 1.03147100e+01 5 1.15110041e+01 -3.71792798e+01 -1.30862078e+01 6 2.29947555e+01 -1.39348440e+01 -2.81258399e+01 7 2.07164662e+01 -4.27147690e+01 -2.91879557e+01 8 -1.08869973e+01 -3.39027883e+01 6.97981191e+00 9 -2.51203962e+01 -1.04929148e+01 -4.00362534e+01 10 -7.83059357e+00 4.95722187e+01 -4.56205078e+01 11 -2.63881033e+01 -2.72627232e+01 3.71752102e+00 12 -3.23438079e+01 3.15996657e+01 1.02021857e+01 13 -2.58165168e+01 2.06214977e+00 -9.12483142e+01 14 2.94458341e+01 3.44062492e+01 -2.41487039e+01 15 9.55349488e+01 -1.50374119e+01 2.53475193e+01 16 -3.36768254e+00 6.99274690e+01 1.34803988e+01 17 -3.55091826e+01 -1.45676306e+01 4.00997800e+00 18 -3.56869501e+00 2.21448299e+00 1.47148659e+01 19 9.70793308e+00 -1.99485179e+01 1.95529531e+01 20 -1.32262066e+01 1.14411521e+01 1.52985584e+01 21 -1.93740348e+01 -3.68287473e+01 1.15520856e+01 22 4.76752784e+01 2.71224729e+01 2.16729682e+01 23 1.61237495e+01 -1.00957632e+01 1.82825967e+01 24 -8.33734222e+00 -1.18914396e+00 2.28690574e+01 25 -3.66831149e+01 -1.29277200e+01 6.89513867e-01 26 -1.36730075e+01 5.68155755e+01 -1.08278367e+01 27 -7.10625556e+00 -3.93444186e+01 4.06611421e+01 28 -3.62589236e+01 2.56427282e+01 2.02140246e+01 29 8.82001706e+00 -2.41513698e+01 1.63906292e+01 30 2.64277892e+01 2.68998533e+01 1.45834089e+01 31 3.46668705e+01 -5.20437523e+00 2.00313016e+01 32 2.32427605e+01 3.65368149e+01 3.86929595e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.