Enter a model name: === Verification check vc-memory-leak start (2023-05-10 02:40:22) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 Supported species : Al Li random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 106.36388824054214 Forces: 1 -9.35527350e+00 -5.11085760e+00 -4.85627753e+00 2 2.72212672e+00 1.78233610e+00 -1.45340632e+01 3 1.68474921e+00 -1.34668901e+01 2.50688019e+00 4 -1.07387162e+01 5.50707985e+00 2.47734430e+00 5 -3.18499766e-01 -1.02594721e+01 -6.20445183e+00 6 8.14271829e+00 -2.29206014e+00 -9.11261258e+00 7 9.98897185e+00 -9.56698132e+00 -1.49212617e+01 8 -3.21683001e+00 6.00339609e-01 3.47346573e+00 9 -1.26997546e+01 -1.77650276e+00 -1.55779659e+01 10 1.55909495e+00 2.20903015e+01 -1.37271536e+00 11 -9.15915737e+00 -1.46230747e+01 3.34988418e+00 12 -1.54539036e+01 8.97445322e+00 3.23613204e+00 13 1.40341092e+01 -1.44152956e+01 -1.47025154e+01 14 1.16619798e+01 3.05100946e+00 -6.73830692e+00 15 1.40956074e+01 1.03279691e+01 1.72139731e+00 16 -8.38687111e+00 1.81161323e+01 -8.84593407e+00 17 -8.91111210e+00 -8.11347981e+00 -4.87394161e+00 18 3.65523101e+00 3.72056679e+00 -2.24145179e+00 19 2.69428691e+00 -1.29557344e+01 8.29200454e+00 20 -1.07561976e+01 3.17955588e+00 1.03314024e+01 21 -8.59142922e+00 -1.23616778e+01 1.20354536e+01 22 1.44537976e+01 5.38372177e+00 1.03426232e+00 23 6.24276064e+00 -2.96954243e+00 8.43350494e+00 24 -1.84986257e-01 1.34953442e+00 1.05592320e+01 25 -1.22499768e+01 -3.27555352e+00 -5.38063990e+00 26 1.59464255e-01 1.59208609e+01 -2.69385756e-01 27 -4.15649927e+00 -3.03741199e+00 1.00409048e+01 28 -5.31364144e+00 4.92015009e+00 7.61414045e+00 29 7.26164592e+00 -6.53537299e+00 2.42744504e-01 30 1.56275893e+01 1.04758790e+01 -5.82236200e-01 31 5.92565313e+00 -3.37724595e+00 1.16902903e+01 32 -4.16937331e-01 8.73726341e+00 1.31747162e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 106.36388824054214 Forces: 1 -9.35527350e+00 -5.11085760e+00 -4.85627753e+00 2 2.72212672e+00 1.78233610e+00 -1.45340632e+01 3 1.68474921e+00 -1.34668901e+01 2.50688019e+00 4 -1.07387162e+01 5.50707985e+00 2.47734430e+00 5 -3.18499766e-01 -1.02594721e+01 -6.20445183e+00 6 8.14271829e+00 -2.29206014e+00 -9.11261258e+00 7 9.98897185e+00 -9.56698132e+00 -1.49212617e+01 8 -3.21683001e+00 6.00339609e-01 3.47346573e+00 9 -1.26997546e+01 -1.77650276e+00 -1.55779659e+01 10 1.55909495e+00 2.20903015e+01 -1.37271536e+00 11 -9.15915737e+00 -1.46230747e+01 3.34988418e+00 12 -1.54539036e+01 8.97445322e+00 3.23613204e+00 13 1.40341092e+01 -1.44152956e+01 -1.47025154e+01 14 1.16619798e+01 3.05100946e+00 -6.73830692e+00 15 1.40956074e+01 1.03279691e+01 1.72139731e+00 16 -8.38687111e+00 1.81161323e+01 -8.84593407e+00 17 -8.91111210e+00 -8.11347981e+00 -4.87394161e+00 18 3.65523101e+00 3.72056679e+00 -2.24145179e+00 19 2.69428691e+00 -1.29557344e+01 8.29200454e+00 20 -1.07561976e+01 3.17955588e+00 1.03314024e+01 21 -8.59142922e+00 -1.23616778e+01 1.20354536e+01 22 1.44537976e+01 5.38372177e+00 1.03426232e+00 23 6.24276064e+00 -2.96954243e+00 8.43350494e+00 24 -1.84986257e-01 1.34953442e+00 1.05592320e+01 25 -1.22499768e+01 -3.27555352e+00 -5.38063990e+00 26 1.59464255e-01 1.59208609e+01 -2.69385756e-01 27 -4.15649927e+00 -3.03741199e+00 1.00409048e+01 28 -5.31364144e+00 4.92015009e+00 7.61414045e+00 29 7.26164592e+00 -6.53537299e+00 2.42744504e-01 30 1.56275893e+01 1.04758790e+01 -5.82236200e-01 31 5.92565313e+00 -3.37724595e+00 1.16902903e+01 32 -4.16937331e-01 8.73726341e+00 1.31747162e+01 ERROR: Unable to perform verification check. Message = Calling kimpy function "create" failed: Unable to create a new KIM-API Model object! === Verification check vc-memory-leak end (2023-05-10 02:40:24) ===