!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_CubicNaturalSpline_AngeloMoodyBaskes_1995_Ni__MO_800536961967_003 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 = -42.00849191199364 Forces: 1 -1.85572421e+00 -3.71061380e+00 -4.06581506e+00 2 -3.13974889e+00 5.84165993e+00 -4.55808674e+00 3 1.96723664e+00 -3.00160157e+00 1.35557157e+00 4 -2.60463166e+00 3.25761000e+00 3.17152550e+00 5 5.53311063e+00 -7.78685170e+00 -2.10489741e+00 6 8.70956158e-01 1.17213903e+00 -2.70704168e+00 7 4.76026764e+00 -1.10491609e+01 -9.43856133e+00 8 -7.32294674e+00 -5.28188470e+00 -4.96595476e-01 9 -5.24033207e+00 -4.77350142e+00 -8.46883175e+00 10 -2.21583857e+00 1.19567474e+01 -9.59713562e+00 11 -6.00282717e+00 -9.17261864e+00 6.60092984e+00 12 -5.53730461e+00 6.45422929e+00 3.16740135e+00 13 1.29770985e+00 -7.09025145e+00 -1.80630824e+01 14 2.92202131e+00 5.75638166e+00 -4.21386707e+00 15 1.47928532e+01 -5.97502784e+00 2.38958069e+00 16 2.82206776e+00 1.56195770e+01 5.66377487e+00 17 -8.17306096e+00 -4.07275612e+00 -3.26438820e+00 18 1.71142956e+00 8.33995446e+00 -9.00478716e+00 19 2.39032401e+00 -1.10501531e+01 6.33696612e+00 20 -5.01677491e+00 4.90861813e+00 5.43458895e+00 21 -6.18623630e+00 -5.98461483e+00 2.53389585e+00 22 8.99910464e+00 8.81288772e+00 7.31723840e+00 23 1.67338055e+00 -4.28527919e-01 2.68898019e+00 24 5.00604942e+00 3.63643918e+00 5.88738746e+00 25 -7.00788319e+00 -5.29774348e+00 -1.35124182e+00 26 -2.65656745e+00 1.11116133e+01 -5.19689914e+00 27 2.78647873e+00 -1.23610034e+01 7.89937686e+00 28 -9.14254876e+00 8.10913283e+00 3.84189285e+00 29 -1.99464740e+00 -6.43441032e+00 3.27482442e+00 30 4.62913863e+00 5.44779698e+00 1.94274669e+00 31 7.67131667e+00 -4.46292047e+00 5.10072277e+00 32 4.26362754e+00 7.50885477e+00 7.92382646e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -42.00849191199364 Forces: 1 -1.85572421e+00 -3.71061380e+00 -4.06581506e+00 2 -3.13974889e+00 5.84165993e+00 -4.55808674e+00 3 1.96723664e+00 -3.00160157e+00 1.35557157e+00 4 -2.60463166e+00 3.25761000e+00 3.17152550e+00 5 5.53311063e+00 -7.78685170e+00 -2.10489741e+00 6 8.70956158e-01 1.17213903e+00 -2.70704168e+00 7 4.76026764e+00 -1.10491609e+01 -9.43856133e+00 8 -7.32294674e+00 -5.28188470e+00 -4.96595476e-01 9 -5.24033207e+00 -4.77350142e+00 -8.46883175e+00 10 -2.21583857e+00 1.19567474e+01 -9.59713562e+00 11 -6.00282717e+00 -9.17261864e+00 6.60092984e+00 12 -5.53730461e+00 6.45422929e+00 3.16740135e+00 13 1.29770985e+00 -7.09025145e+00 -1.80630824e+01 14 2.92202131e+00 5.75638166e+00 -4.21386707e+00 15 1.47928532e+01 -5.97502784e+00 2.38958069e+00 16 2.82206776e+00 1.56195770e+01 5.66377487e+00 17 -8.17306096e+00 -4.07275612e+00 -3.26438820e+00 18 1.71142956e+00 8.33995446e+00 -9.00478716e+00 19 2.39032401e+00 -1.10501531e+01 6.33696612e+00 20 -5.01677491e+00 4.90861813e+00 5.43458895e+00 21 -6.18623630e+00 -5.98461483e+00 2.53389585e+00 22 8.99910464e+00 8.81288772e+00 7.31723840e+00 23 1.67338055e+00 -4.28527919e-01 2.68898019e+00 24 5.00604942e+00 3.63643918e+00 5.88738746e+00 25 -7.00788319e+00 -5.29774348e+00 -1.35124182e+00 26 -2.65656745e+00 1.11116133e+01 -5.19689914e+00 27 2.78647873e+00 -1.23610034e+01 7.89937686e+00 28 -9.14254876e+00 8.10913283e+00 3.84189285e+00 29 -1.99464740e+00 -6.43441032e+00 3.27482442e+00 30 4.62913863e+00 5.44779698e+00 1.94274669e+00 31 7.67131667e+00 -4.46292047e+00 5.10072277e+00 32 4.26362754e+00 7.50885477e+00 7.92382646e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==71032== Memcheck, a memory error detector ==71032== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==71032== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==71032== Command: python runner2.py EAM_CubicNaturalSpline_AngeloMoodyBaskes_1995_Ni__MO_800536961967_003 ==71032== ==71640== Warning: invalid file descriptor 1024 in syscall close() ==71640== Warning: invalid file descriptor 1025 in syscall close() ==71640== Warning: invalid file descriptor 1026 in syscall close() ==71640== Warning: invalid file descriptor 1027 in syscall close() ==71640== Use --log-fd= to select an alternative log fd. ==71640== Warning: invalid file descriptor 1028 in syscall close() ==71640== Warning: invalid file descriptor 1029 in syscall close() ==71032== ==71032== HEAP SUMMARY: ==71032== in use at exit: 2,257,559 bytes in 1,700 blocks ==71032== total heap usage: 45,289 allocs, 43,589 frees, 67,314,534 bytes allocated ==71032== ==71032== LEAK SUMMARY: ==71032== definitely lost: 0 bytes in 0 blocks ==71032== indirectly lost: 0 bytes in 0 blocks ==71032== possibly lost: 180,827 bytes in 103 blocks ==71032== still reachable: 2,076,700 bytes in 1,596 blocks ==71032== of which reachable via heuristic: ==71032== stdstring : 38 bytes in 1 blocks ==71032== suppressed: 32 bytes in 1 blocks ==71032== Rerun with --leak-check=full to see details of leaked memory ==71032== ==71032== For lists of detected and suppressed errors, rerun with: -s ==71032== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7902 from 584) ================================================================================ 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.