!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_Zhou_Johnson_Ta__MO_130046220009_004 Supported species : Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 12.2620905001 Forces: 1 -6.40193922e+00 -1.26364508e+01 -1.31357225e+01 2 -1.37975597e+01 2.24813273e+01 -1.64867930e+01 3 -2.50308101e+00 -2.04884028e+01 -2.38629493e+00 4 -1.13218710e+01 5.17063881e+00 6.13453791e+00 5 2.02461779e+01 -2.93281157e+01 -7.05461938e+00 6 6.69863349e+00 1.29019896e+00 -1.24302468e+01 7 1.38251813e+01 -4.59551666e+01 -4.01204929e+01 8 -2.98177019e+01 -2.99757617e+01 -1.16161616e+01 9 -1.32745118e+01 -2.03917296e+01 -3.23645958e+01 10 -3.70321727e+00 2.83400209e+01 -3.20002617e+01 11 -5.76428780e+00 -2.00837894e+01 1.74531807e+00 12 -2.17010112e+01 2.96722593e+01 1.42563245e+01 13 -5.99214085e+00 -1.46523506e+01 -5.94044249e+01 14 1.11536646e+01 1.07468814e+01 -5.64109167e+00 15 6.75303401e+01 1.73519587e+01 5.45755665e+00 16 1.57507752e+01 4.58531119e+01 1.87585753e+01 17 -1.76795902e+01 -8.55613913e+00 -6.10466364e+00 18 -1.38458611e+01 1.06848326e+01 1.30815886e+01 19 7.77359805e+00 -1.50915268e+01 1.25753227e+01 20 -7.70031007e+00 1.10619320e+01 8.78332581e+00 21 -1.43548284e+01 -2.13652619e+01 1.41027412e+01 22 3.36212554e+01 2.92310331e+01 3.57150941e+01 23 5.61431464e+00 -2.84150202e+00 1.04627877e+01 24 4.02942295e+00 7.35553185e-01 1.11684516e+01 25 -2.32797856e+01 -6.56958135e+00 1.75682305e+01 26 -1.18150608e+01 3.16513381e+01 -1.23778165e+01 27 1.16597947e+01 -4.54103913e+01 1.79170126e+01 28 -3.75611995e+01 3.10579055e+01 6.49375668e+00 29 -7.80230738e+00 -9.37734852e+00 1.54264997e+01 30 1.31918789e+01 1.79046985e+01 -3.70363277e+00 31 2.40920919e+01 -1.43750546e+01 2.05190031e+01 32 1.31291354e+01 2.38648827e+01 2.46606913e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 211.934357073 Forces: 1 2.92588268e+01 -2.00909518e+01 6.70046959e+00 2 -4.60915819e+01 1.96283685e+01 3.69232048e+01 3 -4.56277109e+00 2.37598034e+00 1.16496899e+00 4 2.76546840e+01 1.20701277e+01 -1.93589165e+00 5 3.55454305e+01 -2.68421693e+00 -1.21745995e+00 6 -3.55586497e+01 3.64099908e+01 8.97733219e+00 7 -5.24286868e+00 -4.38401917e+01 -4.09067368e+01 8 -3.17332688e+01 -2.97741021e+01 -1.05927754e+01 9 -2.65955497e+01 -4.27445701e+01 1.38493853e+01 10 -1.65352541e+01 4.01871737e+00 -1.56637762e+01 11 -5.16327312e+00 -2.12967781e+01 3.20277079e+00 12 9.70496234e+00 1.22713394e+01 3.81156306e+01 13 -4.85809582e+00 -1.90756812e+01 -4.51411737e+01 14 -3.04046741e+01 6.28270155e+00 -1.96291530e+01 15 5.10080961e+01 2.18210910e+01 5.76881080e+00 16 1.93765897e+01 3.04803300e+01 2.20343012e+01 17 2.12400225e+01 -2.08434468e+01 -9.80183318e+00 18 -1.29346504e+01 1.21936684e+01 1.22766522e+01 19 8.69010477e+00 6.95476196e+00 8.08071656e+00 20 2.47956317e+01 3.98001670e+01 -1.34844496e+01 21 -1.62413808e+01 -5.33905800e+00 1.49713628e+01 22 -3.81199391e+00 5.03372769e+01 4.36839772e+01 23 -3.21244074e+01 -3.52201046e+01 -1.23382636e+01 24 3.89216427e+01 1.13645766e+01 -4.21794311e+01 25 -9.77071384e+00 -1.12918126e+01 1.79348237e+01 26 -9.41449863e+00 7.66078107e+00 -1.78765581e+01 27 3.16174226e+01 -5.03622917e+01 -2.08853851e+01 28 -4.07184793e+01 3.46671454e+01 -1.50110390e+01 29 -8.41302297e+00 -1.06037222e+01 1.49435978e+01 30 1.89179393e+00 3.33573699e+00 -2.52225026e+00 31 1.90246536e+01 -1.74870846e+01 1.43600262e+01 32 2.14452732e+01 1.89812515e+01 6.19814569e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==6926== Memcheck, a memory error detector ==6926== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==6926== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==6926== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Ta__MO_130046220009_004 ==6926== * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion ==6926== ==6926== HEAP SUMMARY: ==6926== in use at exit: 4,106,744 bytes in 5,847 blocks ==6926== total heap usage: 56,267 allocs, 50,420 frees, 52,630,016 bytes allocated ==6926== ==6926== LEAK SUMMARY: ==6926== definitely lost: 0 bytes in 0 blocks ==6926== indirectly lost: 0 bytes in 0 blocks ==6926== possibly lost: 172,767 bytes in 105 blocks ==6926== still reachable: 3,933,977 bytes in 5,742 blocks ==6926== suppressed: 0 bytes in 0 blocks ==6926== Rerun with --leak-check=full to see details of leaked memory ==6926== ==6926== For counts of detected and suppressed errors, rerun with: -v ==6926== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2389 from 124) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.