Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:50:44) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_004 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 147.77061540473642 Forces: 1 -6.52742353e+00 -1.34582683e+01 -1.45099373e+01 2 -1.59302951e+01 2.50089788e+01 -1.64928888e+01 3 5.77977910e+00 -7.46695006e+00 3.53776434e+00 4 -6.55876343e+00 1.14043671e+01 1.06550019e+01 5 2.02988375e+01 -3.28555245e+01 -3.22135339e+00 6 6.94903850e+00 3.20513158e+00 -1.15687247e+01 7 7.26383827e+00 -4.38752122e+01 -4.02285324e+01 8 -2.20990388e+01 -1.95120067e+01 8.08848232e+00 9 -1.99117009e+01 -1.15128183e+01 -2.89362885e+01 10 -6.71468379e+00 3.29005614e+01 -3.17675975e+01 11 -9.55090484e+00 -2.66192847e+01 2.76090588e+01 12 -1.37677086e+01 1.78976819e+01 9.14216959e+00 13 -8.06172402e+00 -1.51846234e+01 -6.73873280e+01 14 1.18419811e+01 1.55140079e+01 -1.09254411e+01 15 5.48997892e+01 -1.68588219e+01 1.28432191e+01 16 4.51422613e+00 4.39279392e+01 2.27518345e+01 17 -2.17015262e+01 -1.09454599e+01 -8.89070982e+00 18 5.14310937e+00 2.57998326e+01 -2.85615573e+01 19 6.65782468e+00 -3.30094079e+01 2.00020626e+01 20 -1.42929546e+01 1.26868149e+01 1.55473563e+01 21 -1.98250321e+01 -1.43904660e+01 8.27392848e+00 22 2.67359050e+01 3.74274569e+01 3.28999522e+01 23 6.68851562e+00 -2.49502168e+00 9.59533563e+00 24 1.32130882e+01 9.11565697e+00 1.62226113e+01 25 -1.53567624e+01 -1.45308383e+01 -7.10940535e+00 26 -8.24738332e+00 2.88816472e+01 -1.70022256e+01 27 2.27214088e+01 -5.07071159e+01 2.12719448e+01 28 -4.22444196e+01 3.80961885e+01 1.03251345e+01 29 -1.36110122e+01 -2.25121732e+01 7.25927848e+00 30 1.46634346e+01 2.43610296e+01 1.30047385e+01 31 2.32456755e+01 -1.20624638e+01 1.49984043e+01 32 1.37848818e+01 2.17691621e+01 2.25737122e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 147.77061540473642 Forces: 1 -6.52742353e+00 -1.34582683e+01 -1.45099373e+01 2 -1.59302951e+01 2.50089788e+01 -1.64928888e+01 3 5.77977910e+00 -7.46695006e+00 3.53776434e+00 4 -6.55876343e+00 1.14043671e+01 1.06550019e+01 5 2.02988375e+01 -3.28555245e+01 -3.22135339e+00 6 6.94903850e+00 3.20513158e+00 -1.15687247e+01 7 7.26383827e+00 -4.38752122e+01 -4.02285324e+01 8 -2.20990388e+01 -1.95120067e+01 8.08848232e+00 9 -1.99117009e+01 -1.15128183e+01 -2.89362885e+01 10 -6.71468379e+00 3.29005614e+01 -3.17675975e+01 11 -9.55090484e+00 -2.66192847e+01 2.76090588e+01 12 -1.37677086e+01 1.78976819e+01 9.14216959e+00 13 -8.06172402e+00 -1.51846234e+01 -6.73873280e+01 14 1.18419811e+01 1.55140079e+01 -1.09254411e+01 15 5.48997892e+01 -1.68588219e+01 1.28432191e+01 16 4.51422613e+00 4.39279392e+01 2.27518345e+01 17 -2.17015262e+01 -1.09454599e+01 -8.89070982e+00 18 5.14310937e+00 2.57998326e+01 -2.85615573e+01 19 6.65782468e+00 -3.30094079e+01 2.00020626e+01 20 -1.42929546e+01 1.26868149e+01 1.55473563e+01 21 -1.98250321e+01 -1.43904660e+01 8.27392848e+00 22 2.67359050e+01 3.74274569e+01 3.28999522e+01 23 6.68851562e+00 -2.49502168e+00 9.59533563e+00 24 1.32130882e+01 9.11565697e+00 1.62226113e+01 25 -1.53567624e+01 -1.45308383e+01 -7.10940535e+00 26 -8.24738332e+00 2.88816472e+01 -1.70022256e+01 27 2.27214088e+01 -5.07071159e+01 2.12719448e+01 28 -4.22444196e+01 3.80961885e+01 1.03251345e+01 29 -1.36110122e+01 -2.25121732e+01 7.25927848e+00 30 1.46634346e+01 2.43610296e+01 1.30047385e+01 31 2.32456755e+01 -1.20624638e+01 1.49984043e+01 32 1.37848818e+01 2.17691621e+01 2.25737122e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==91566== Memcheck, a memory error detector ==91566== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==91566== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==91566== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_004 ==91566== ==92493== Warning: invalid file descriptor 255988 in syscall close() ==92493== Warning: invalid file descriptor 255989 in syscall close() ==92493== Warning: invalid file descriptor 255990 in syscall close() ==92493== Warning: invalid file descriptor 255991 in syscall close() ==92493== Use --log-fd= to select an alternative log fd. ==92493== Warning: invalid file descriptor 255992 in syscall close() ==92493== Warning: invalid file descriptor 255993 in syscall close() ==91566== ==91566== HEAP SUMMARY: ==91566== in use at exit: 2,257,559 bytes in 1,700 blocks ==91566== total heap usage: 45,193 allocs, 43,493 frees, 83,623,524 bytes allocated ==91566== ==91566== LEAK SUMMARY: ==91566== definitely lost: 0 bytes in 0 blocks ==91566== indirectly lost: 0 bytes in 0 blocks ==91566== possibly lost: 180,827 bytes in 103 blocks ==91566== still reachable: 2,076,700 bytes in 1,596 blocks ==91566== of which reachable via heuristic: ==91566== stdstring : 38 bytes in 1 blocks ==91566== suppressed: 32 bytes in 1 blocks ==91566== Rerun with --leak-check=full to see details of leaked memory ==91566== ==91566== For lists of detected and suppressed errors, rerun with: -s ==91566== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7855 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 (2022-11-29 18:53:08) ===