Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:18) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_1959HighCutoff_Ni__MO_381861218831_004 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 73.17180198610109 Forces: 1 -3.89803927e+00 -8.85351561e+00 -9.46745192e+00 2 -5.77289147e+00 7.79249434e+00 -6.09927222e+00 3 6.84075402e+00 -1.50919824e+01 -8.59237907e+00 4 -7.62708082e+00 7.03401951e+00 4.44174842e+00 5 3.17885884e+00 -1.39361116e+01 -1.97629326e+00 6 6.91098575e+00 4.73680378e+00 -6.78681620e+00 7 5.74837447e+00 -2.82557352e+01 -2.55116412e+01 8 -1.42389000e+01 -1.14342553e+01 -1.14608699e+00 9 -1.19011014e+01 -8.14932487e+00 -1.85345971e+01 10 -4.04593324e+00 2.08939164e+01 -2.04881342e+01 11 -4.07042546e+00 -1.62626743e+01 1.19881940e+01 12 -1.04568929e+01 1.55484719e+01 3.09044267e+00 13 -5.59524340e+00 -1.32549716e+01 -4.14393560e+01 14 8.21289395e+00 1.05138966e+01 -6.70314923e+00 15 3.71948065e+01 -4.89888247e+00 1.12431916e+01 16 4.62983803e+00 2.95807919e+01 1.52303799e+01 17 -1.47616139e+01 -7.25092178e+00 -4.47907798e+00 18 4.82855830e+00 1.46876238e+01 7.44550393e+00 19 4.77417279e+00 -1.28213967e+01 6.57174463e+00 20 -5.33089707e+00 9.34610043e+00 6.63704492e+00 21 -1.22732647e+01 -1.10433169e+01 7.55896088e+00 22 1.91935809e+01 2.46831658e+01 1.56630113e+01 23 4.24553568e+00 -2.40571353e+00 1.05702882e+01 24 3.09157771e+00 7.30591466e+00 4.62440135e+00 25 -9.45439656e+00 -9.04927782e+00 7.07402579e+00 26 -5.97141767e+00 1.89508403e+01 -1.08261547e+01 27 1.14266257e+01 -3.32646347e+01 1.06794231e+01 28 -2.64843943e+01 2.20478824e+01 4.79153129e+00 29 -9.45343062e+00 -1.36052354e+01 6.70590043e+00 30 8.55887344e+00 1.45208713e+01 -2.05476932e+00 31 1.40429423e+01 -1.25784262e+01 1.40295148e+01 32 8.45754441e+00 1.45135832e+01 1.57598723e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 73.17180198610109 Forces: 1 -3.89803927e+00 -8.85351561e+00 -9.46745192e+00 2 -5.77289147e+00 7.79249434e+00 -6.09927222e+00 3 6.84075402e+00 -1.50919824e+01 -8.59237907e+00 4 -7.62708082e+00 7.03401951e+00 4.44174842e+00 5 3.17885884e+00 -1.39361116e+01 -1.97629326e+00 6 6.91098575e+00 4.73680378e+00 -6.78681620e+00 7 5.74837447e+00 -2.82557352e+01 -2.55116412e+01 8 -1.42389000e+01 -1.14342553e+01 -1.14608699e+00 9 -1.19011014e+01 -8.14932487e+00 -1.85345971e+01 10 -4.04593324e+00 2.08939164e+01 -2.04881342e+01 11 -4.07042546e+00 -1.62626743e+01 1.19881940e+01 12 -1.04568929e+01 1.55484719e+01 3.09044267e+00 13 -5.59524340e+00 -1.32549716e+01 -4.14393560e+01 14 8.21289395e+00 1.05138966e+01 -6.70314923e+00 15 3.71948065e+01 -4.89888247e+00 1.12431916e+01 16 4.62983803e+00 2.95807919e+01 1.52303799e+01 17 -1.47616139e+01 -7.25092178e+00 -4.47907798e+00 18 4.82855830e+00 1.46876238e+01 7.44550393e+00 19 4.77417279e+00 -1.28213967e+01 6.57174463e+00 20 -5.33089707e+00 9.34610043e+00 6.63704492e+00 21 -1.22732647e+01 -1.10433169e+01 7.55896088e+00 22 1.91935809e+01 2.46831658e+01 1.56630113e+01 23 4.24553568e+00 -2.40571353e+00 1.05702882e+01 24 3.09157771e+00 7.30591466e+00 4.62440135e+00 25 -9.45439656e+00 -9.04927782e+00 7.07402579e+00 26 -5.97141767e+00 1.89508403e+01 -1.08261547e+01 27 1.14266257e+01 -3.32646347e+01 1.06794231e+01 28 -2.64843943e+01 2.20478824e+01 4.79153129e+00 29 -9.45343062e+00 -1.36052354e+01 6.70590043e+00 30 8.55887344e+00 1.45208713e+01 -2.05476932e+00 31 1.40429423e+01 -1.25784262e+01 1.40295148e+01 32 8.45754441e+00 1.45135832e+01 1.57598723e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1863113== Memcheck, a memory error detector ==1863113== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1863113== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1863113== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004 ==1863113== ==1864396== Warning: invalid file descriptor 1024 in syscall close() ==1864396== Warning: invalid file descriptor 1025 in syscall close() ==1864396== Warning: invalid file descriptor 1026 in syscall close() ==1864396== Warning: invalid file descriptor 1027 in syscall close() ==1864396== Use --log-fd= to select an alternative log fd. ==1864396== Warning: invalid file descriptor 1028 in syscall close() ==1864396== Warning: invalid file descriptor 1029 in syscall close() ==1863113== ==1863113== HEAP SUMMARY: ==1863113== in use at exit: 2,257,559 bytes in 1,700 blocks ==1863113== total heap usage: 45,206 allocs, 43,506 frees, 58,553,513 bytes allocated ==1863113== ==1863113== LEAK SUMMARY: ==1863113== definitely lost: 0 bytes in 0 blocks ==1863113== indirectly lost: 0 bytes in 0 blocks ==1863113== possibly lost: 180,827 bytes in 103 blocks ==1863113== still reachable: 2,076,700 bytes in 1,596 blocks ==1863113== of which reachable via heuristic: ==1863113== stdstring : 38 bytes in 1 blocks ==1863113== suppressed: 32 bytes in 1 blocks ==1863113== Rerun with --leak-check=full to see details of leaked memory ==1863113== ==1863113== For lists of detected and suppressed errors, rerun with: -s ==1863113== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7907 from 581) ================================================================================ 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 10:16:47) ===