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_Olsson_2009_V__MO_944449444863_000 Supported species : V random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.228424804529183 Forces: 1 -4.01744883e+00 -1.02244954e+01 -8.81870629e+00 2 -4.32985264e+00 2.31092399e+00 -1.10422448e+01 3 2.88564364e+00 -9.89993662e+00 -2.57798738e+00 4 -7.58688123e+00 5.94961279e+00 7.40898139e+00 5 1.56362173e+00 -1.32336776e+01 -5.43783742e+00 6 7.07724803e+00 2.89342326e+00 -8.42478576e+00 7 8.17614706e+00 -1.88398294e+01 -1.19468764e+01 8 -7.62774477e+00 -8.10630345e+00 3.62197502e+00 9 -1.17986786e+01 -8.60454661e-01 -1.40505744e+01 10 -6.59711002e+00 2.13234777e+01 -1.60683643e+01 11 -1.16692197e+01 -1.31152111e+01 1.31324092e+01 12 -8.81147325e+00 1.22996450e+01 -2.98119227e+00 13 1.01093736e+01 -7.69917713e+00 -3.08477800e+01 14 5.78208076e+00 6.42072106e+00 -5.98285810e+00 15 2.52433896e+01 -4.34120771e+00 -9.17505851e-01 16 3.76623230e+00 2.61783088e+01 9.96411628e+00 17 -1.27591222e+01 -6.07797170e+00 -3.33824859e+00 18 3.35058405e+00 1.00409904e+01 -5.44306365e-01 19 3.14004234e+00 -1.07265975e+01 8.40522664e+00 20 -5.63453653e+00 5.99944248e+00 6.60378489e+00 21 -8.08049317e+00 -1.10074121e+01 2.99179082e+00 22 1.49530959e+01 1.35308222e+01 1.13957150e+01 23 5.53820423e+00 -2.97492863e+00 6.28500596e+00 24 5.56965419e-03 5.89487742e+00 6.83003921e+00 25 -1.00585890e+01 -1.14796583e+01 1.78522751e+00 26 -2.83671756e+00 1.74333061e+01 -6.67779992e+00 27 4.82791549e+00 -2.04958725e+01 1.23774273e+01 28 -1.69227547e+01 1.39576988e+01 6.57220323e+00 29 -5.60101186e+00 -1.23592312e+01 6.11664327e+00 30 9.30424770e+00 1.23867758e+01 2.24663961e+00 31 1.18149662e+01 -7.15413973e+00 1.03908206e+01 32 6.79327180e+00 1.19760790e+01 1.35290619e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.228424804529183 Forces: 1 -4.01744883e+00 -1.02244954e+01 -8.81870629e+00 2 -4.32985264e+00 2.31092399e+00 -1.10422448e+01 3 2.88564364e+00 -9.89993662e+00 -2.57798738e+00 4 -7.58688123e+00 5.94961279e+00 7.40898139e+00 5 1.56362173e+00 -1.32336776e+01 -5.43783742e+00 6 7.07724803e+00 2.89342326e+00 -8.42478576e+00 7 8.17614706e+00 -1.88398294e+01 -1.19468764e+01 8 -7.62774477e+00 -8.10630345e+00 3.62197502e+00 9 -1.17986786e+01 -8.60454661e-01 -1.40505744e+01 10 -6.59711002e+00 2.13234777e+01 -1.60683643e+01 11 -1.16692197e+01 -1.31152111e+01 1.31324092e+01 12 -8.81147325e+00 1.22996450e+01 -2.98119227e+00 13 1.01093736e+01 -7.69917713e+00 -3.08477800e+01 14 5.78208076e+00 6.42072106e+00 -5.98285810e+00 15 2.52433896e+01 -4.34120771e+00 -9.17505851e-01 16 3.76623230e+00 2.61783088e+01 9.96411628e+00 17 -1.27591222e+01 -6.07797170e+00 -3.33824859e+00 18 3.35058405e+00 1.00409904e+01 -5.44306365e-01 19 3.14004234e+00 -1.07265975e+01 8.40522664e+00 20 -5.63453653e+00 5.99944248e+00 6.60378489e+00 21 -8.08049317e+00 -1.10074121e+01 2.99179082e+00 22 1.49530959e+01 1.35308222e+01 1.13957150e+01 23 5.53820423e+00 -2.97492863e+00 6.28500596e+00 24 5.56965419e-03 5.89487742e+00 6.83003921e+00 25 -1.00585890e+01 -1.14796583e+01 1.78522751e+00 26 -2.83671756e+00 1.74333061e+01 -6.67779992e+00 27 4.82791549e+00 -2.04958725e+01 1.23774273e+01 28 -1.69227547e+01 1.39576988e+01 6.57220323e+00 29 -5.60101186e+00 -1.23592312e+01 6.11664327e+00 30 9.30424770e+00 1.23867758e+01 2.24663961e+00 31 1.18149662e+01 -7.15413973e+00 1.03908206e+01 32 6.79327180e+00 1.19760790e+01 1.35290619e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1396828== Memcheck, a memory error detector ==1396828== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1396828== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1396828== Command: python runner2.py EAM_Dynamo_Olsson_2009_V__MO_944449444863_000 ==1396828== ==1398797== Warning: invalid file descriptor 1024 in syscall close() ==1398797== Warning: invalid file descriptor 1025 in syscall close() ==1398797== Warning: invalid file descriptor 1026 in syscall close() ==1398797== Warning: invalid file descriptor 1027 in syscall close() ==1398797== Use --log-fd= to select an alternative log fd. ==1398797== Warning: invalid file descriptor 1028 in syscall close() ==1398797== Warning: invalid file descriptor 1029 in syscall close() ==1396828== ==1396828== HEAP SUMMARY: ==1396828== in use at exit: 2,257,559 bytes in 1,700 blocks ==1396828== total heap usage: 45,263 allocs, 43,563 frees, 71,496,983 bytes allocated ==1396828== ==1396828== LEAK SUMMARY: ==1396828== definitely lost: 0 bytes in 0 blocks ==1396828== indirectly lost: 0 bytes in 0 blocks ==1396828== possibly lost: 180,827 bytes in 103 blocks ==1396828== still reachable: 2,076,700 bytes in 1,596 blocks ==1396828== of which reachable via heuristic: ==1396828== stdstring : 38 bytes in 1 blocks ==1396828== suppressed: 32 bytes in 1 blocks ==1396828== Rerun with --leak-check=full to see details of leaked memory ==1396828== ==1396828== For lists of detected and suppressed errors, rerun with: -s ==1396828== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7791 from 548) ================================================================================ 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) ===