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_ZhouJohnsonWadley_2004NISTretabulation_Pt__MO_601539325066_000 Supported species : Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 91.81270903374768 Forces: 1 -1.08494763e+01 -1.29195703e+01 -1.65208436e+01 2 -8.02236263e+00 1.25658188e+01 -1.95644876e+01 3 -2.14008634e+00 -1.70685625e+01 1.08795955e+01 4 -1.46315964e+01 9.79089373e+00 5.12147794e+00 5 1.58158807e+01 -2.27250825e+01 -1.39246066e+01 6 8.64642549e+00 2.07863008e+00 -1.36223048e+01 7 1.44577082e+01 -3.66500424e+01 -2.36641631e+01 8 -1.58597625e+01 -2.53023239e+01 -8.51523423e+00 9 -9.58952884e+00 -1.20861162e+01 -2.22005858e+01 10 -7.18703056e+00 2.40705652e+01 -2.60963779e+01 11 -1.95900308e+01 -1.65596581e+01 -1.87326034e+01 12 -1.86582632e+01 1.94282939e+01 8.71358940e+00 13 2.40821744e+00 -1.34299298e+01 -5.07815488e+01 14 1.09050601e+01 1.07351406e+01 -9.64263490e+00 15 5.06663773e+01 -4.15094378e-01 -6.63391084e+00 16 9.84699784e+00 5.02893378e+01 5.10578225e+00 17 -1.90362817e+01 -1.10518298e+01 -3.41974683e+00 18 2.74469208e+00 3.98468425e+00 -5.70040564e+00 19 8.35450166e+00 -2.48734174e+01 1.74215594e+01 20 -1.62617793e+01 9.92708772e+00 1.26279294e+01 21 -1.30414559e+01 -2.04263684e+01 1.28592760e+01 22 3.19796433e+01 1.63016936e+01 2.41596897e+01 23 5.61710478e+00 -3.27018397e+00 9.90071303e+00 24 3.82109432e+00 -1.05733991e+01 1.75625507e+01 25 -3.66766045e+01 -4.17899146e+00 6.61256109e+00 26 -1.22530199e+01 4.40644566e+01 -1.94338437e+00 27 -4.89092365e+00 -2.41723598e+01 2.73333717e+01 28 -2.51659470e+01 1.96575762e+01 1.04753096e+01 29 1.02302792e+01 -1.00731561e+01 2.36339604e+01 30 1.77968720e+01 2.11306390e+01 9.06587620e+00 31 2.49106538e+01 -3.69151353e+00 1.47321918e+01 32 1.56526413e+01 2.54427820e+01 2.47574043e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 91.81270903374768 Forces: 1 -1.08494763e+01 -1.29195703e+01 -1.65208436e+01 2 -8.02236263e+00 1.25658188e+01 -1.95644876e+01 3 -2.14008634e+00 -1.70685625e+01 1.08795955e+01 4 -1.46315964e+01 9.79089373e+00 5.12147794e+00 5 1.58158807e+01 -2.27250825e+01 -1.39246066e+01 6 8.64642549e+00 2.07863008e+00 -1.36223048e+01 7 1.44577082e+01 -3.66500424e+01 -2.36641631e+01 8 -1.58597625e+01 -2.53023239e+01 -8.51523423e+00 9 -9.58952884e+00 -1.20861162e+01 -2.22005858e+01 10 -7.18703056e+00 2.40705652e+01 -2.60963779e+01 11 -1.95900308e+01 -1.65596581e+01 -1.87326034e+01 12 -1.86582632e+01 1.94282939e+01 8.71358940e+00 13 2.40821744e+00 -1.34299298e+01 -5.07815488e+01 14 1.09050601e+01 1.07351406e+01 -9.64263490e+00 15 5.06663773e+01 -4.15094378e-01 -6.63391084e+00 16 9.84699784e+00 5.02893378e+01 5.10578225e+00 17 -1.90362817e+01 -1.10518298e+01 -3.41974683e+00 18 2.74469208e+00 3.98468425e+00 -5.70040564e+00 19 8.35450166e+00 -2.48734174e+01 1.74215594e+01 20 -1.62617793e+01 9.92708772e+00 1.26279294e+01 21 -1.30414559e+01 -2.04263684e+01 1.28592760e+01 22 3.19796433e+01 1.63016936e+01 2.41596897e+01 23 5.61710478e+00 -3.27018397e+00 9.90071303e+00 24 3.82109432e+00 -1.05733991e+01 1.75625507e+01 25 -3.66766045e+01 -4.17899146e+00 6.61256109e+00 26 -1.22530199e+01 4.40644566e+01 -1.94338437e+00 27 -4.89092365e+00 -2.41723598e+01 2.73333717e+01 28 -2.51659470e+01 1.96575762e+01 1.04753096e+01 29 1.02302792e+01 -1.00731561e+01 2.36339604e+01 30 1.77968720e+01 2.11306390e+01 9.06587620e+00 31 2.49106538e+01 -3.69151353e+00 1.47321918e+01 32 1.56526413e+01 2.54427820e+01 2.47574043e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1304764== Memcheck, a memory error detector ==1304764== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1304764== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1304764== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pt__MO_601539325066_000 ==1304764== ==1306142== Warning: invalid file descriptor 1024 in syscall close() ==1306142== Warning: invalid file descriptor 1025 in syscall close() ==1306142== Warning: invalid file descriptor 1026 in syscall close() ==1306142== Warning: invalid file descriptor 1027 in syscall close() ==1306142== Use --log-fd= to select an alternative log fd. ==1306142== Warning: invalid file descriptor 1028 in syscall close() ==1306142== Warning: invalid file descriptor 1029 in syscall close() ==1304764== ==1304764== HEAP SUMMARY: ==1304764== in use at exit: 2,257,559 bytes in 1,700 blocks ==1304764== total heap usage: 45,263 allocs, 43,563 frees, 61,339,122 bytes allocated ==1304764== ==1304764== LEAK SUMMARY: ==1304764== definitely lost: 0 bytes in 0 blocks ==1304764== indirectly lost: 0 bytes in 0 blocks ==1304764== possibly lost: 180,827 bytes in 103 blocks ==1304764== still reachable: 2,076,700 bytes in 1,596 blocks ==1304764== of which reachable via heuristic: ==1304764== stdstring : 38 bytes in 1 blocks ==1304764== suppressed: 32 bytes in 1 blocks ==1304764== Rerun with --leak-check=full to see details of leaked memory ==1304764== ==1304764== For lists of detected and suppressed errors, rerun with: -s ==1304764== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7890 from 551) ================================================================================ 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 10:16:58) ===