Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:29) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = -14.621077825735593 Forces: 1 -4.63302855e+00 -4.23047565e+00 -3.28634137e+00 2 1.24904118e+00 4.97790635e-01 -7.89111700e+00 3 -1.35981492e+00 -8.04228729e+00 1.46745169e+00 4 -8.59809414e+00 -2.91221593e+00 -9.83391995e-01 5 6.02475317e-01 -6.28398445e+00 -7.05762432e+00 6 6.50255215e+00 -7.69699218e-01 -6.43094840e+00 7 7.23484987e+00 -6.83284863e+00 -1.29875120e+00 8 -1.81398439e+00 1.88447919e-02 -6.49880475e-01 9 -6.07160979e+00 1.47829772e+00 -5.81340547e+00 10 -5.73225000e-01 6.75690670e+00 -7.11674112e+00 11 6.66420978e-01 -1.72135399e+00 -2.24719748e+00 12 -7.04927544e+00 6.48911368e+00 -1.41427762e+00 13 -1.86051204e-01 5.52183193e-02 -9.11504052e+00 14 3.15583613e+00 3.65184822e+00 -3.41828766e+00 15 9.13193033e+00 1.35861077e+00 9.07484811e-01 16 1.98904841e+00 9.48574615e+00 -8.87398856e-01 17 -5.79575313e+00 -5.61157639e+00 -1.17747077e+00 18 7.78072361e-01 -2.79216295e+00 -2.34073968e+00 19 -2.49066344e-01 -7.72569754e+00 6.61458071e+00 20 -8.39731361e+00 -7.04836091e-01 7.03509598e+00 21 -2.39643722e+00 -8.93045768e+00 -5.34015193e-01 22 9.55289983e+00 6.49037689e-01 2.09991529e+00 23 5.32879192e+00 -3.66209270e+00 4.86485940e+00 24 1.86710286e+00 1.09470733e+00 9.24310683e+00 25 -1.00563157e+01 1.82990270e+00 2.46395958e+00 26 -7.96529281e-01 9.73203519e+00 2.18550323e+00 27 -8.11261852e-01 2.73546917e+00 9.80154870e+00 28 -3.24054647e+00 3.10345384e+00 3.22577463e+00 29 2.14228231e+00 -4.33025253e-01 -7.04855245e-01 30 5.75177080e+00 6.00106946e+00 -8.71836367e-01 31 6.26971764e+00 -1.51081073e+00 6.18373783e+00 32 -1.94485079e-01 7.22547214e+00 7.14630205e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = -14.621077825735593 Forces: 1 -4.63302855e+00 -4.23047565e+00 -3.28634137e+00 2 1.24904118e+00 4.97790635e-01 -7.89111700e+00 3 -1.35981492e+00 -8.04228729e+00 1.46745169e+00 4 -8.59809414e+00 -2.91221593e+00 -9.83391995e-01 5 6.02475317e-01 -6.28398445e+00 -7.05762432e+00 6 6.50255215e+00 -7.69699218e-01 -6.43094840e+00 7 7.23484987e+00 -6.83284863e+00 -1.29875120e+00 8 -1.81398439e+00 1.88447919e-02 -6.49880475e-01 9 -6.07160979e+00 1.47829772e+00 -5.81340547e+00 10 -5.73225000e-01 6.75690670e+00 -7.11674112e+00 11 6.66420978e-01 -1.72135399e+00 -2.24719748e+00 12 -7.04927544e+00 6.48911368e+00 -1.41427762e+00 13 -1.86051204e-01 5.52183193e-02 -9.11504052e+00 14 3.15583613e+00 3.65184822e+00 -3.41828766e+00 15 9.13193033e+00 1.35861077e+00 9.07484811e-01 16 1.98904841e+00 9.48574615e+00 -8.87398856e-01 17 -5.79575313e+00 -5.61157639e+00 -1.17747077e+00 18 7.78072361e-01 -2.79216295e+00 -2.34073968e+00 19 -2.49066344e-01 -7.72569754e+00 6.61458071e+00 20 -8.39731361e+00 -7.04836091e-01 7.03509598e+00 21 -2.39643722e+00 -8.93045768e+00 -5.34015193e-01 22 9.55289983e+00 6.49037689e-01 2.09991529e+00 23 5.32879192e+00 -3.66209270e+00 4.86485940e+00 24 1.86710286e+00 1.09470733e+00 9.24310683e+00 25 -1.00563157e+01 1.82990270e+00 2.46395958e+00 26 -7.96529281e-01 9.73203519e+00 2.18550323e+00 27 -8.11261852e-01 2.73546917e+00 9.80154870e+00 28 -3.24054647e+00 3.10345384e+00 3.22577463e+00 29 2.14228231e+00 -4.33025253e-01 -7.04855245e-01 30 5.75177080e+00 6.00106946e+00 -8.71836367e-01 31 6.26971764e+00 -1.51081073e+00 6.18373783e+00 32 -1.94485079e-01 7.22547214e+00 7.14630205e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1304774== Memcheck, a memory error detector ==1304774== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1304774== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1304774== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 ==1304774== ==1306167== Warning: invalid file descriptor 1024 in syscall close() ==1306167== Warning: invalid file descriptor 1025 in syscall close() ==1306167== Warning: invalid file descriptor 1026 in syscall close() ==1306167== Warning: invalid file descriptor 1027 in syscall close() ==1306167== Use --log-fd= to select an alternative log fd. ==1306167== Warning: invalid file descriptor 1028 in syscall close() ==1306167== Warning: invalid file descriptor 1029 in syscall close() ==1304774== ==1304774== HEAP SUMMARY: ==1304774== in use at exit: 2,257,591 bytes in 1,701 blocks ==1304774== total heap usage: 45,883 allocs, 44,182 frees, 72,133,826 bytes allocated ==1304774== ==1304774== LEAK SUMMARY: ==1304774== definitely lost: 0 bytes in 0 blocks ==1304774== indirectly lost: 0 bytes in 0 blocks ==1304774== possibly lost: 180,827 bytes in 103 blocks ==1304774== still reachable: 2,076,732 bytes in 1,597 blocks ==1304774== of which reachable via heuristic: ==1304774== stdstring : 38 bytes in 1 blocks ==1304774== suppressed: 32 bytes in 1 blocks ==1304774== Rerun with --leak-check=full to see details of leaked memory ==1304774== ==1304774== For lists of detected and suppressed errors, rerun with: -s ==1304774== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7819 from 552) ================================================================================ 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) ===