!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_000 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 = 68.43070105752918 Forces: 1 -8.66012834e+00 -1.45302922e+01 -1.57868196e+01 2 -9.95535978e+00 6.30941563e+00 -1.88540764e+01 3 4.43899017e+00 -2.23966584e+01 -6.95844802e+00 4 -1.38956907e+01 9.77546787e+00 8.10693959e+00 5 1.35959114e+00 -2.64801271e+01 -1.16455292e+01 6 1.49747068e+01 4.03030295e+00 -1.77325154e+01 7 1.79616324e+01 -3.45555047e+01 -2.09786908e+01 8 -9.20024782e+00 -1.37323216e+01 5.91771225e+00 9 -1.77804286e+01 -1.26145816e+01 -2.77105079e+01 10 -6.48130320e+00 3.68012271e+01 -2.99573942e+01 11 -1.87640725e+01 -2.00207010e+01 1.46607375e+01 12 -1.95775118e+01 2.17305898e+01 8.86706146e+00 13 1.40621598e+00 -1.26456349e+01 -5.86778493e+01 14 1.29128097e+01 2.10587195e+01 -1.69955190e+01 15 4.81884747e+01 -1.45244481e+01 9.02789888e+00 16 7.33058090e+00 4.83265380e+01 1.60989683e+01 17 -2.21367974e+01 -1.07055183e+01 -6.82526972e+00 18 -7.07766618e+00 1.34032446e+01 6.82737199e+00 19 6.45878390e+00 -2.17462788e+01 1.37246671e+01 20 -9.80433415e+00 1.38061320e+01 1.19799048e+01 21 -1.28139212e+01 -2.53644546e+01 8.63342923e+00 22 2.73739113e+01 2.75887607e+01 1.64262809e+01 23 9.63761751e+00 -5.05257469e+00 1.52166089e+01 24 4.19006411e+00 9.35229794e+00 1.62162469e+01 25 -2.38817513e+01 -1.54818782e+01 -2.01340684e+00 26 -7.69523928e+00 3.56622196e+01 -1.35113538e+01 27 8.13824775e+00 -3.74478497e+01 2.54394837e+01 28 -3.07873066e+01 2.71374998e+01 1.31328858e+01 29 -1.46683519e+00 -1.92336473e+01 6.67224073e+00 30 1.72749910e+01 1.94142667e+01 6.56894335e+00 31 2.54796004e+01 -1.19994691e+01 1.80450238e+01 32 1.28523764e+01 2.41352582e+01 2.60849749e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 68.43070105752918 Forces: 1 -8.66012834e+00 -1.45302922e+01 -1.57868196e+01 2 -9.95535978e+00 6.30941563e+00 -1.88540764e+01 3 4.43899017e+00 -2.23966584e+01 -6.95844802e+00 4 -1.38956907e+01 9.77546787e+00 8.10693959e+00 5 1.35959114e+00 -2.64801271e+01 -1.16455292e+01 6 1.49747068e+01 4.03030295e+00 -1.77325154e+01 7 1.79616324e+01 -3.45555047e+01 -2.09786908e+01 8 -9.20024782e+00 -1.37323216e+01 5.91771225e+00 9 -1.77804286e+01 -1.26145816e+01 -2.77105079e+01 10 -6.48130320e+00 3.68012271e+01 -2.99573942e+01 11 -1.87640725e+01 -2.00207010e+01 1.46607375e+01 12 -1.95775118e+01 2.17305898e+01 8.86706146e+00 13 1.40621598e+00 -1.26456349e+01 -5.86778493e+01 14 1.29128097e+01 2.10587195e+01 -1.69955190e+01 15 4.81884747e+01 -1.45244481e+01 9.02789888e+00 16 7.33058090e+00 4.83265380e+01 1.60989683e+01 17 -2.21367974e+01 -1.07055183e+01 -6.82526972e+00 18 -7.07766618e+00 1.34032446e+01 6.82737199e+00 19 6.45878390e+00 -2.17462788e+01 1.37246671e+01 20 -9.80433415e+00 1.38061320e+01 1.19799048e+01 21 -1.28139212e+01 -2.53644546e+01 8.63342923e+00 22 2.73739113e+01 2.75887607e+01 1.64262809e+01 23 9.63761751e+00 -5.05257469e+00 1.52166089e+01 24 4.19006411e+00 9.35229794e+00 1.62162469e+01 25 -2.38817513e+01 -1.54818782e+01 -2.01340684e+00 26 -7.69523928e+00 3.56622196e+01 -1.35113538e+01 27 8.13824775e+00 -3.74478497e+01 2.54394837e+01 28 -3.07873066e+01 2.71374998e+01 1.31328858e+01 29 -1.46683519e+00 -1.92336473e+01 6.67224073e+00 30 1.72749910e+01 1.94142667e+01 6.56894335e+00 31 2.54796004e+01 -1.19994691e+01 1.80450238e+01 32 1.28523764e+01 2.41352582e+01 2.60849749e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1396814== Memcheck, a memory error detector ==1396814== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1396814== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1396814== Command: python runner2.py EAM_Dynamo_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_000 ==1396814== ==1398768== Warning: invalid file descriptor 1024 in syscall close() ==1398768== Warning: invalid file descriptor 1025 in syscall close() ==1398768== Warning: invalid file descriptor 1026 in syscall close() ==1398768== Warning: invalid file descriptor 1027 in syscall close() ==1398768== Use --log-fd= to select an alternative log fd. ==1398768== Warning: invalid file descriptor 1028 in syscall close() ==1398768== Warning: invalid file descriptor 1029 in syscall close() ==1396814== ==1396814== HEAP SUMMARY: ==1396814== in use at exit: 2,257,559 bytes in 1,700 blocks ==1396814== total heap usage: 45,263 allocs, 43,563 frees, 65,149,702 bytes allocated ==1396814== ==1396814== LEAK SUMMARY: ==1396814== definitely lost: 0 bytes in 0 blocks ==1396814== indirectly lost: 0 bytes in 0 blocks ==1396814== possibly lost: 180,827 bytes in 103 blocks ==1396814== still reachable: 2,076,700 bytes in 1,596 blocks ==1396814== of which reachable via heuristic: ==1396814== stdstring : 38 bytes in 1 blocks ==1396814== suppressed: 32 bytes in 1 blocks ==1396814== Rerun with --leak-check=full to see details of leaked memory ==1396814== ==1396814== For lists of detected and suppressed errors, rerun with: -s ==1396814== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7822 from 563) ================================================================================ 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.