Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:30) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 20.218135624154137 Forces: 1 -7.93111932e+00 -6.67866465e+00 -1.04181803e+01 2 -1.06473595e+01 1.91178218e+01 -9.38821512e+00 3 1.49753263e+00 -8.68280655e+00 1.06266711e+01 4 -1.04183938e+01 4.27976644e+00 -1.26917184e+00 5 1.74721023e+01 -2.02705704e+01 -4.92464556e+00 6 5.09719232e+00 9.67714185e-01 -6.73667731e+00 7 3.01533652e+00 -2.97326442e+01 -3.05954650e+01 8 -9.44530161e+00 -8.04569881e+00 5.91923143e+00 9 -5.85394289e+00 -9.19849694e+00 -1.41568741e+01 10 -5.14965326e+00 1.39878515e+01 -1.74701357e+01 11 3.76365147e+00 -1.09262844e+01 -2.92096207e+00 12 -9.40816180e+00 1.63207661e+01 2.10299450e+00 13 -1.17328211e+01 -1.26498506e+01 -4.33408479e+01 14 7.15718384e+00 1.14901155e+01 -9.02067010e+00 15 3.57968379e+01 -1.31304981e+01 1.46942772e+01 16 1.43718131e+00 3.10647000e+01 1.50546353e+01 17 -1.37442507e+01 -1.10923342e+01 -5.87340681e+00 18 1.39063678e+01 8.86514291e+00 2.53649727e+00 19 6.48307679e+00 -8.57405339e+00 6.98474051e+00 20 -5.14954899e+00 7.01592321e+00 7.44771161e+00 21 -1.22379615e+01 -8.50284338e+00 7.07546574e+00 22 1.72717453e+01 2.78061718e+01 1.93633517e+01 23 4.50432574e+00 -2.86479911e+00 8.06868903e+00 24 -2.37567674e+00 3.09269831e+00 3.16626849e+00 25 -1.54465209e+01 -3.35997730e+00 1.74674084e+01 26 -7.22713274e+00 1.63861859e+01 -8.35362490e+00 27 1.53553972e+01 -3.56317410e+01 8.09484633e+00 28 -2.89891312e+01 2.46041501e+01 2.52672748e+00 29 -6.51434614e+00 -1.36509646e+01 4.45422250e+00 30 7.43058183e+00 1.41792562e+01 4.02995005e+00 31 1.38002526e+01 -8.99341241e+00 1.14630584e+01 32 8.28255669e+00 1.28073761e+01 1.33921296e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 20.218135624154137 Forces: 1 -7.93111932e+00 -6.67866465e+00 -1.04181803e+01 2 -1.06473595e+01 1.91178218e+01 -9.38821512e+00 3 1.49753263e+00 -8.68280655e+00 1.06266711e+01 4 -1.04183938e+01 4.27976644e+00 -1.26917184e+00 5 1.74721023e+01 -2.02705704e+01 -4.92464556e+00 6 5.09719232e+00 9.67714185e-01 -6.73667731e+00 7 3.01533652e+00 -2.97326442e+01 -3.05954650e+01 8 -9.44530161e+00 -8.04569881e+00 5.91923143e+00 9 -5.85394289e+00 -9.19849694e+00 -1.41568741e+01 10 -5.14965326e+00 1.39878515e+01 -1.74701357e+01 11 3.76365147e+00 -1.09262844e+01 -2.92096207e+00 12 -9.40816180e+00 1.63207661e+01 2.10299450e+00 13 -1.17328211e+01 -1.26498506e+01 -4.33408479e+01 14 7.15718384e+00 1.14901155e+01 -9.02067010e+00 15 3.57968379e+01 -1.31304981e+01 1.46942772e+01 16 1.43718131e+00 3.10647000e+01 1.50546353e+01 17 -1.37442507e+01 -1.10923342e+01 -5.87340681e+00 18 1.39063678e+01 8.86514291e+00 2.53649727e+00 19 6.48307679e+00 -8.57405339e+00 6.98474051e+00 20 -5.14954899e+00 7.01592321e+00 7.44771161e+00 21 -1.22379615e+01 -8.50284338e+00 7.07546574e+00 22 1.72717453e+01 2.78061718e+01 1.93633517e+01 23 4.50432574e+00 -2.86479911e+00 8.06868903e+00 24 -2.37567674e+00 3.09269831e+00 3.16626849e+00 25 -1.54465209e+01 -3.35997730e+00 1.74674084e+01 26 -7.22713274e+00 1.63861859e+01 -8.35362490e+00 27 1.53553972e+01 -3.56317410e+01 8.09484633e+00 28 -2.89891312e+01 2.46041501e+01 2.52672748e+00 29 -6.51434614e+00 -1.36509646e+01 4.45422250e+00 30 7.43058183e+00 1.41792562e+01 4.02995005e+00 31 1.38002526e+01 -8.99341241e+00 1.14630584e+01 32 8.28255669e+00 1.28073761e+01 1.33921296e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1396918== Memcheck, a memory error detector ==1396918== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1396918== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1396918== Command: python runner2.py EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 ==1396918== ==1398884== Warning: invalid file descriptor 1024 in syscall close() ==1398884== Warning: invalid file descriptor 1025 in syscall close() ==1398884== Warning: invalid file descriptor 1026 in syscall close() ==1398884== Warning: invalid file descriptor 1027 in syscall close() ==1398884== Use --log-fd= to select an alternative log fd. ==1398884== Warning: invalid file descriptor 1028 in syscall close() ==1398884== Warning: invalid file descriptor 1029 in syscall close() ==1396918== ==1396918== HEAP SUMMARY: ==1396918== in use at exit: 2,257,559 bytes in 1,700 blocks ==1396918== total heap usage: 45,235 allocs, 43,535 frees, 71,511,478 bytes allocated ==1396918== ==1396918== LEAK SUMMARY: ==1396918== definitely lost: 0 bytes in 0 blocks ==1396918== indirectly lost: 0 bytes in 0 blocks ==1396918== possibly lost: 180,827 bytes in 103 blocks ==1396918== still reachable: 2,076,700 bytes in 1,596 blocks ==1396918== of which reachable via heuristic: ==1396918== stdstring : 38 bytes in 1 blocks ==1396918== suppressed: 32 bytes in 1 blocks ==1396918== Rerun with --leak-check=full to see details of leaked memory ==1396918== ==1396918== For lists of detected and suppressed errors, rerun with: -s ==1396918== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7900 from 584) ================================================================================ 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 (2022-11-30 10:17:01) ===