!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_NormanStarikovStegailov_2012_Au__MO_592431957881_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 = -73.69314717059304 Forces: 1 -4.62952750e+00 -2.81235362e+00 -7.27416516e+00 2 -2.47344566e+00 3.50038107e+00 -2.71497258e+00 3 7.74401475e+00 -6.58272655e+00 2.62521178e+00 4 -4.33926176e+00 5.42461871e+00 1.92303589e+00 5 2.11368966e+00 -4.22951671e+00 2.02620199e-03 6 1.60594331e+00 2.59972855e+00 -3.56461772e+00 7 2.63493798e+00 -1.48352341e+01 -1.14969678e+01 8 -4.12816888e+00 -2.65344041e+00 -2.77957210e+00 9 -4.62175707e+00 -3.83476181e+00 -7.32974828e+00 10 -2.58144473e+00 7.90615951e+00 -8.72753748e+00 11 -3.17659959e+00 -6.71943035e+00 7.22985730e+00 12 -2.78415445e+00 4.77409953e+00 2.80397846e+00 13 -2.38028121e+00 -7.82940214e+00 -1.89578750e+01 14 2.58931295e+00 5.20510307e+00 -4.36287152e+00 15 1.56427153e+01 -1.37108333e+01 -1.38039202e-01 16 -7.63504276e-01 1.52419533e+01 6.12105730e+00 17 -3.34991902e+00 -2.62016201e+00 -2.04491185e+00 18 -7.94397423e-01 3.05717344e+00 7.69276348e-01 19 1.04455281e+00 -3.48287475e+00 2.25684059e+00 20 -9.16573644e-01 3.37306059e+00 2.27887189e+00 21 -6.06504940e+00 -4.29189112e+00 1.67119425e+00 22 7.13664661e+00 1.18630318e+01 1.01269885e+01 23 2.07681583e+00 -6.40191642e-01 3.78482398e+00 24 1.81050288e+00 2.53879581e+00 2.76114540e+00 25 -3.29276354e+00 -3.91630720e+00 -4.83215199e-01 26 -2.26926209e+00 7.36825225e+00 -4.65205133e+00 27 5.15569736e+00 -1.40987662e+01 5.89084317e+00 28 -1.12615371e+01 1.01294808e+01 1.69914288e+00 29 -3.09938361e+00 -4.01518424e+00 4.37209461e+00 30 4.23176948e+00 1.07790861e+01 1.00916034e+01 31 5.31294338e+00 -2.89191262e+00 3.16956226e+00 32 3.82748870e+00 5.40406417e+00 4.94899097e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = -73.69314717059304 Forces: 1 -4.62952750e+00 -2.81235362e+00 -7.27416516e+00 2 -2.47344566e+00 3.50038107e+00 -2.71497258e+00 3 7.74401475e+00 -6.58272655e+00 2.62521178e+00 4 -4.33926176e+00 5.42461871e+00 1.92303589e+00 5 2.11368966e+00 -4.22951671e+00 2.02620199e-03 6 1.60594331e+00 2.59972855e+00 -3.56461772e+00 7 2.63493798e+00 -1.48352341e+01 -1.14969678e+01 8 -4.12816888e+00 -2.65344041e+00 -2.77957210e+00 9 -4.62175707e+00 -3.83476181e+00 -7.32974828e+00 10 -2.58144473e+00 7.90615951e+00 -8.72753748e+00 11 -3.17659959e+00 -6.71943035e+00 7.22985730e+00 12 -2.78415445e+00 4.77409953e+00 2.80397846e+00 13 -2.38028121e+00 -7.82940214e+00 -1.89578750e+01 14 2.58931295e+00 5.20510307e+00 -4.36287152e+00 15 1.56427153e+01 -1.37108333e+01 -1.38039202e-01 16 -7.63504276e-01 1.52419533e+01 6.12105730e+00 17 -3.34991902e+00 -2.62016201e+00 -2.04491185e+00 18 -7.94397423e-01 3.05717344e+00 7.69276348e-01 19 1.04455281e+00 -3.48287475e+00 2.25684059e+00 20 -9.16573644e-01 3.37306059e+00 2.27887189e+00 21 -6.06504940e+00 -4.29189112e+00 1.67119425e+00 22 7.13664661e+00 1.18630318e+01 1.01269885e+01 23 2.07681583e+00 -6.40191642e-01 3.78482398e+00 24 1.81050288e+00 2.53879581e+00 2.76114540e+00 25 -3.29276354e+00 -3.91630720e+00 -4.83215199e-01 26 -2.26926209e+00 7.36825225e+00 -4.65205133e+00 27 5.15569736e+00 -1.40987662e+01 5.89084317e+00 28 -1.12615371e+01 1.01294808e+01 1.69914288e+00 29 -3.09938361e+00 -4.01518424e+00 4.37209461e+00 30 4.23176948e+00 1.07790861e+01 1.00916034e+01 31 5.31294338e+00 -2.89191262e+00 3.16956226e+00 32 3.82748870e+00 5.40406417e+00 4.94899097e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==66389== Memcheck, a memory error detector ==66389== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==66389== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==66389== Command: python runner2.py EAM_Dynamo_NormanStarikovStegailov_2012_Au__MO_592431957881_000 ==66389== ==69030== Warning: invalid file descriptor 255988 in syscall close() ==69030== Warning: invalid file descriptor 255989 in syscall close() ==69030== Warning: invalid file descriptor 255990 in syscall close() ==69030== Warning: invalid file descriptor 255991 in syscall close() ==69030== Use --log-fd= to select an alternative log fd. ==69030== Warning: invalid file descriptor 255992 in syscall close() ==69030== Warning: invalid file descriptor 255993 in syscall close() ==66389== ==66389== HEAP SUMMARY: ==66389== in use at exit: 2,203,031 bytes in 1,641 blocks ==66389== total heap usage: 51,083 allocs, 49,442 frees, 102,848,100 bytes allocated ==66389== ==66389== LEAK SUMMARY: ==66389== definitely lost: 0 bytes in 0 blocks ==66389== indirectly lost: 0 bytes in 0 blocks ==66389== possibly lost: 198,622 bytes in 101 blocks ==66389== still reachable: 2,004,377 bytes in 1,539 blocks ==66389== suppressed: 32 bytes in 1 blocks ==66389== Rerun with --leak-check=full to see details of leaked memory ==66389== ==66389== For lists of detected and suppressed errors, rerun with: -s ==66389== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 9075 from 561) ================================================================================ 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.