Enter a model name: === Verification check vc-memory-leak start (2022-08-03 17:19:36) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SunZhangMendelev_2022_Fe__MO_044341472608_000 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 24.545527988284338 Forces: 1 -6.11957051e+00 -5.69270712e+00 -8.71332573e+00 2 -3.62321684e+00 5.22217369e+00 -8.27072234e+00 3 -8.74564523e-01 -8.05639382e+00 4.97952431e+00 4 -4.89257798e+00 2.66470844e+00 3.57764312e+00 5 5.37144267e+00 -1.01589654e+01 -5.64541827e+00 6 4.76164391e+00 2.49688415e+00 -6.14639312e+00 7 3.74248414e+00 -2.67920011e+01 -2.28549176e+01 8 -4.97363083e+00 -8.12992840e+00 -6.49202503e+00 9 -7.50267300e+00 -1.15414046e+01 -1.81938732e+01 10 -8.67370111e-01 1.57019037e+01 -1.54885818e+01 11 -3.79564103e+00 -1.04096106e+01 6.48520173e+00 12 -1.19691241e+01 1.53627376e+01 8.06000766e+00 13 -5.67766138e+00 -8.70905163e+00 -3.35002947e+01 14 6.35598799e+00 7.76218063e+00 -5.41558525e+00 15 3.03853462e+01 -4.00034001e+00 9.02295575e+00 16 4.40583015e+00 2.25170990e+01 8.06033626e+00 17 -6.28531425e+00 -3.78521241e+00 -5.35250583e+00 18 -8.25279333e+00 1.89685429e+00 3.63198882e+00 19 4.50481610e+00 -7.27198909e+00 5.32395829e+00 20 -4.11840471e+00 5.67940374e+00 5.01888809e+00 21 -7.41258676e+00 -9.54884986e+00 6.11042984e+00 22 1.87741865e+01 2.12478996e+01 2.15270993e+01 23 3.32202111e+00 -1.44663974e+00 5.81625946e+00 24 2.21159103e+00 2.16033198e-01 5.29862128e+00 25 -9.30419414e+00 -2.47418549e+00 7.19705124e+00 26 -5.84273401e+00 1.45428554e+01 -4.81050617e+00 27 1.43082483e+01 -2.82150398e+01 7.48882294e+00 28 -2.65251953e+01 2.19690799e+01 2.65940447e+00 29 -4.76504900e+00 -6.08214108e+00 7.31258953e+00 30 7.35685842e+00 1.07893327e+01 1.32584779e+00 31 1.11408861e+01 -6.50986209e+00 1.02349912e+01 32 6.16095928e+00 1.07551763e+01 1.17525279e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 24.545527988284338 Forces: 1 -6.11957051e+00 -5.69270712e+00 -8.71332573e+00 2 -3.62321684e+00 5.22217369e+00 -8.27072234e+00 3 -8.74564523e-01 -8.05639382e+00 4.97952431e+00 4 -4.89257798e+00 2.66470844e+00 3.57764312e+00 5 5.37144267e+00 -1.01589654e+01 -5.64541827e+00 6 4.76164391e+00 2.49688415e+00 -6.14639312e+00 7 3.74248414e+00 -2.67920011e+01 -2.28549176e+01 8 -4.97363083e+00 -8.12992840e+00 -6.49202503e+00 9 -7.50267300e+00 -1.15414046e+01 -1.81938732e+01 10 -8.67370111e-01 1.57019037e+01 -1.54885818e+01 11 -3.79564103e+00 -1.04096106e+01 6.48520173e+00 12 -1.19691241e+01 1.53627376e+01 8.06000766e+00 13 -5.67766138e+00 -8.70905163e+00 -3.35002947e+01 14 6.35598799e+00 7.76218063e+00 -5.41558525e+00 15 3.03853462e+01 -4.00034001e+00 9.02295575e+00 16 4.40583015e+00 2.25170990e+01 8.06033626e+00 17 -6.28531425e+00 -3.78521241e+00 -5.35250583e+00 18 -8.25279333e+00 1.89685429e+00 3.63198882e+00 19 4.50481610e+00 -7.27198909e+00 5.32395829e+00 20 -4.11840471e+00 5.67940374e+00 5.01888809e+00 21 -7.41258676e+00 -9.54884986e+00 6.11042984e+00 22 1.87741865e+01 2.12478996e+01 2.15270993e+01 23 3.32202111e+00 -1.44663974e+00 5.81625946e+00 24 2.21159103e+00 2.16033198e-01 5.29862128e+00 25 -9.30419414e+00 -2.47418549e+00 7.19705124e+00 26 -5.84273401e+00 1.45428554e+01 -4.81050617e+00 27 1.43082483e+01 -2.82150398e+01 7.48882294e+00 28 -2.65251953e+01 2.19690799e+01 2.65940447e+00 29 -4.76504900e+00 -6.08214108e+00 7.31258953e+00 30 7.35685842e+00 1.07893327e+01 1.32584779e+00 31 1.11408861e+01 -6.50986209e+00 1.02349912e+01 32 6.16095928e+00 1.07551763e+01 1.17525279e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==20980== Memcheck, a memory error detector ==20980== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==20980== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==20980== Command: python runner2.py EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000 ==20980== ==21566== Warning: invalid file descriptor 4096 in syscall close() ==21566== Warning: invalid file descriptor 4097 in syscall close() ==21566== Warning: invalid file descriptor 4098 in syscall close() ==21566== Warning: invalid file descriptor 4099 in syscall close() ==21566== Use --log-fd= to select an alternative log fd. ==21566== Warning: invalid file descriptor 4100 in syscall close() ==21566== Warning: invalid file descriptor 4101 in syscall close() ==20980== ==20980== HEAP SUMMARY: ==20980== in use at exit: 2,202,999 bytes in 1,640 blocks ==20980== total heap usage: 45,939 allocs, 44,299 frees, 69,541,457 bytes allocated ==20980== ==20980== LEAK SUMMARY: ==20980== definitely lost: 0 bytes in 0 blocks ==20980== indirectly lost: 0 bytes in 0 blocks ==20980== possibly lost: 198,622 bytes in 101 blocks ==20980== still reachable: 2,004,345 bytes in 1,538 blocks ==20980== suppressed: 32 bytes in 1 blocks ==20980== Rerun with --leak-check=full to see details of leaked memory ==20980== ==20980== For lists of detected and suppressed errors, rerun with: -s ==20980== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 9014 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. === Verification check vc-memory-leak end (2022-08-03 17:20:48) ===