!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Au__MO_468407568810_004 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 249.388523018 Forces: 1 -9.72774341e+00 -3.40269876e+01 -2.71528483e+01 2 -9.28056885e+00 9.78500987e+00 -2.51653981e+01 3 1.15609660e+01 -2.97863855e+01 -1.43898200e+01 4 -2.14980514e+01 2.21576729e+01 1.87140523e+01 5 8.76670136e+00 -3.20020736e+01 -1.26154346e+01 6 1.43501249e+01 5.79371742e+00 -1.74782083e+01 7 2.11328653e+01 -6.12239495e+01 -4.93086264e+01 8 -1.57933177e+01 -1.37668064e+01 -9.58931280e+00 9 -2.34836925e+01 -2.49776116e+01 -5.53887203e+01 10 -4.72769450e+00 4.79450904e+01 -4.83002225e+01 11 -1.58227444e+01 -3.08783236e+01 2.14349174e+01 12 -3.38576053e+01 4.08531656e+01 2.54362519e+01 13 -3.75990484e+00 -3.50877295e+01 -8.92706245e+01 14 2.29922587e+01 3.15620269e+01 -2.85423351e+01 15 8.18471536e+01 -2.19640890e+01 2.71089241e+01 16 -2.50798744e+00 7.62514313e+01 2.77820991e+01 17 -3.59602321e+01 -1.65815127e+01 4.34142464e+00 18 5.82650622e+00 2.19472951e+01 5.52838209e+00 19 3.21872620e+00 -2.81957680e+01 1.64692630e+01 20 -1.61098857e+01 8.93419665e+00 1.38977775e+01 21 -2.14559936e+01 -2.73767520e+01 1.92208052e+01 22 4.74050639e+01 4.32626254e+01 3.94364912e+01 23 9.61922378e+00 -5.44121104e+00 1.83707813e+01 24 8.95148732e+00 4.05836749e+00 1.71279430e+01 25 -3.10960097e+01 -7.57936162e+00 3.38415893e-01 26 -1.57151746e+01 4.65981703e+01 -1.61136971e+01 27 1.76697478e+01 -5.81491860e+01 3.08422279e+01 28 -5.43997477e+01 4.60086909e+01 1.36373305e+01 29 -1.23215562e+01 -2.20327832e+01 1.96226574e+01 30 2.51417254e+01 3.84886317e+01 -1.28896785e+00 31 3.17430520e+01 -2.72523834e+01 3.75404600e+01 32 1.72923074e+01 3.26768221e+01 3.77540114e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18590== Memcheck, a memory error detector ==18590== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==18590== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==18590== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Au__MO_468407568810_004 ==18590== * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion ==18590== ==18590== HEAP SUMMARY: ==18590== in use at exit: 4,103,731 bytes in 5,840 blocks ==18590== total heap usage: 52,035 allocs, 46,195 frees, 50,227,781 bytes allocated ==18590== ==18590== LEAK SUMMARY: ==18590== definitely lost: 0 bytes in 0 blocks ==18590== indirectly lost: 0 bytes in 0 blocks ==18590== possibly lost: 172,767 bytes in 105 blocks ==18590== still reachable: 3,930,964 bytes in 5,735 blocks ==18590== suppressed: 0 bytes in 0 blocks ==18590== Rerun with --leak-check=full to see details of leaked memory ==18590== ==18590== For counts of detected and suppressed errors, rerun with: -v ==18590== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2384 from 126) ================================================================================ 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.