!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Au__MO_684444719999_000 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 = 249.38837262445824 Forces: 1 -9.72728839e+00 -3.40270719e+01 -2.71530426e+01 2 -9.28195026e+00 9.78580963e+00 -2.51653808e+01 3 1.15619708e+01 -2.97861699e+01 -1.43906780e+01 4 -2.14987243e+01 2.21581149e+01 1.87140046e+01 5 8.76785729e+00 -3.20030178e+01 -1.26149037e+01 6 1.43500339e+01 5.79314269e+00 -1.74781054e+01 7 2.11335152e+01 -6.12245197e+01 -4.93109340e+01 8 -1.57933801e+01 -1.37663958e+01 -9.58945617e+00 9 -2.34838209e+01 -2.49782422e+01 -5.53881901e+01 10 -4.72838046e+00 4.79435177e+01 -4.82989881e+01 11 -1.58224690e+01 -3.08759071e+01 2.14333044e+01 12 -3.38577387e+01 4.08526948e+01 2.54364665e+01 13 -3.76126844e+00 -3.50891557e+01 -8.92750681e+01 14 2.29930786e+01 3.15625971e+01 -2.85427749e+01 15 8.18496504e+01 -2.19641343e+01 2.71115692e+01 16 -2.50807742e+00 7.62541295e+01 2.77811665e+01 17 -3.59618136e+01 -1.65818758e+01 4.34223737e+00 18 5.82682958e+00 2.19476071e+01 5.52770306e+00 19 3.21843561e+00 -2.81954941e+01 1.64697438e+01 20 -1.61095652e+01 8.93352086e+00 1.38977367e+01 21 -2.14572165e+01 -2.73770472e+01 1.92220906e+01 22 4.74053386e+01 4.32631751e+01 3.94376981e+01 23 9.61937211e+00 -5.44099810e+00 1.83708612e+01 24 8.95189239e+00 4.05780338e+00 1.71280088e+01 25 -3.10963551e+01 -7.57898434e+00 3.38035222e-01 26 -1.57178764e+01 4.65998489e+01 -1.61136077e+01 27 1.76676091e+01 -5.81505433e+01 3.08430814e+01 28 -5.43999601e+01 4.60085592e+01 1.36366132e+01 29 -1.23202304e+01 -2.20350066e+01 1.96242436e+01 30 2.51419371e+01 3.84897136e+01 -1.28996247e+00 31 3.17438855e+01 -2.72543061e+01 3.75410863e+01 32 1.72947091e+01 3.26786355e+01 3.77554417e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 249.38837262445824 Forces: 1 -9.72728839e+00 -3.40270719e+01 -2.71530426e+01 2 -9.28195026e+00 9.78580963e+00 -2.51653808e+01 3 1.15619708e+01 -2.97861699e+01 -1.43906780e+01 4 -2.14987243e+01 2.21581149e+01 1.87140046e+01 5 8.76785729e+00 -3.20030178e+01 -1.26149037e+01 6 1.43500339e+01 5.79314269e+00 -1.74781054e+01 7 2.11335152e+01 -6.12245197e+01 -4.93109340e+01 8 -1.57933801e+01 -1.37663958e+01 -9.58945617e+00 9 -2.34838209e+01 -2.49782422e+01 -5.53881901e+01 10 -4.72838046e+00 4.79435177e+01 -4.82989881e+01 11 -1.58224690e+01 -3.08759071e+01 2.14333044e+01 12 -3.38577387e+01 4.08526948e+01 2.54364665e+01 13 -3.76126844e+00 -3.50891557e+01 -8.92750681e+01 14 2.29930786e+01 3.15625971e+01 -2.85427749e+01 15 8.18496504e+01 -2.19641343e+01 2.71115692e+01 16 -2.50807742e+00 7.62541295e+01 2.77811665e+01 17 -3.59618136e+01 -1.65818758e+01 4.34223737e+00 18 5.82682958e+00 2.19476071e+01 5.52770306e+00 19 3.21843561e+00 -2.81954941e+01 1.64697438e+01 20 -1.61095652e+01 8.93352086e+00 1.38977367e+01 21 -2.14572165e+01 -2.73770472e+01 1.92220906e+01 22 4.74053386e+01 4.32631751e+01 3.94376981e+01 23 9.61937211e+00 -5.44099810e+00 1.83708612e+01 24 8.95189239e+00 4.05780338e+00 1.71280088e+01 25 -3.10963551e+01 -7.57898434e+00 3.38035222e-01 26 -1.57178764e+01 4.65998489e+01 -1.61136077e+01 27 1.76676091e+01 -5.81505433e+01 3.08430814e+01 28 -5.43999601e+01 4.60085592e+01 1.36366132e+01 29 -1.23202304e+01 -2.20350066e+01 1.96242436e+01 30 2.51419371e+01 3.84897136e+01 -1.28996247e+00 31 3.17438855e+01 -2.72543061e+01 3.75410863e+01 32 1.72947091e+01 3.26786355e+01 3.77554417e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==188952== Memcheck, a memory error detector ==188952== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==188952== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==188952== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Au__MO_684444719999_000 ==188952== ==188952== ==188952== HEAP SUMMARY: ==188952== in use at exit: 2,119,694 bytes in 1,581 blocks ==188952== total heap usage: 56,548 allocs, 54,967 frees, 76,749,987 bytes allocated ==188952== ==188952== LEAK SUMMARY: ==188952== definitely lost: 0 bytes in 0 blocks ==188952== indirectly lost: 0 bytes in 0 blocks ==188952== possibly lost: 187,760 bytes in 97 blocks ==188952== still reachable: 1,931,902 bytes in 1,483 blocks ==188952== suppressed: 32 bytes in 1 blocks ==188952== Rerun with --leak-check=full to see details of leaked memory ==188952== ==188952== For lists of detected and suppressed errors, rerun with: -s ==188952== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 18909 from 611) ================================================================================ 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.