!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 200.20346200092212 Forces: 1 -2.33742820e+01 -2.37475996e+01 -3.56401792e+01 2 -2.10027411e+01 3.73097331e+01 -2.40774870e+01 3 8.78665516e+00 -2.46865007e+01 2.34469472e+01 4 -1.71766481e+01 2.11454135e+01 1.53165919e+01 5 1.86809669e+01 -4.77200996e+01 -1.50574719e+01 6 2.53253536e+01 1.31056760e+01 -2.75348640e+01 7 1.15274221e+01 -9.02685433e+01 -7.64746231e+01 8 -3.74709408e+01 -3.43839892e+01 1.32917387e+01 9 -8.62900309e+00 -4.50248340e+01 -4.80248748e+01 10 -8.75874009e+00 3.68280743e+01 -4.91432142e+01 11 -5.54965939e-01 -3.20511610e+01 -4.20323540e+01 12 -3.43382814e+01 4.62683942e+01 3.77486395e+01 13 -4.19407731e+01 -2.90598519e+01 -1.27858143e+02 14 2.29452834e+01 2.95781221e+01 -1.96991042e+01 15 1.12604476e+02 -2.00411125e+01 3.90711406e+01 16 1.47269497e+01 8.71435286e+01 3.72278311e+01 17 -3.27047756e+01 -2.19977347e+01 -2.09551410e+01 18 1.51416147e+01 1.29067599e+01 -7.46942542e-01 19 1.49131463e+01 -3.37409240e+01 2.36536967e+01 20 -1.68779249e+01 2.35271621e+01 2.15522664e+01 21 -3.79446592e+01 -3.11106504e+01 1.30456567e+01 22 5.52546650e+01 7.87252301e+01 6.70772268e+01 23 1.89285555e+01 -9.12548272e+00 1.96783533e+01 24 -7.08881411e-01 1.86668330e+01 1.76867381e+01 25 -6.58469679e+01 -1.07341925e+01 1.97003226e+01 26 -1.57621191e+01 6.43523281e+01 -2.27783843e+01 27 5.04223540e+01 -1.07101399e+02 3.63195878e+01 28 -9.00513319e+01 7.91502827e+01 1.62676789e+01 29 -8.52072162e+00 -4.17306424e+01 2.40443094e+01 30 2.51191830e+01 3.99895896e+01 6.36284349e+00 31 4.29163699e+01 -2.73681091e+01 3.46840841e+01 32 2.43707618e+01 4.11957001e+01 4.38471298e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 200.20346200092212 Forces: 1 -2.33742820e+01 -2.37475996e+01 -3.56401792e+01 2 -2.10027411e+01 3.73097331e+01 -2.40774870e+01 3 8.78665516e+00 -2.46865007e+01 2.34469472e+01 4 -1.71766481e+01 2.11454135e+01 1.53165919e+01 5 1.86809669e+01 -4.77200996e+01 -1.50574719e+01 6 2.53253536e+01 1.31056760e+01 -2.75348640e+01 7 1.15274221e+01 -9.02685433e+01 -7.64746231e+01 8 -3.74709408e+01 -3.43839892e+01 1.32917387e+01 9 -8.62900309e+00 -4.50248340e+01 -4.80248748e+01 10 -8.75874009e+00 3.68280743e+01 -4.91432142e+01 11 -5.54965939e-01 -3.20511610e+01 -4.20323540e+01 12 -3.43382814e+01 4.62683942e+01 3.77486395e+01 13 -4.19407731e+01 -2.90598519e+01 -1.27858143e+02 14 2.29452834e+01 2.95781221e+01 -1.96991042e+01 15 1.12604476e+02 -2.00411125e+01 3.90711406e+01 16 1.47269497e+01 8.71435286e+01 3.72278311e+01 17 -3.27047756e+01 -2.19977347e+01 -2.09551410e+01 18 1.51416147e+01 1.29067599e+01 -7.46942542e-01 19 1.49131463e+01 -3.37409240e+01 2.36536967e+01 20 -1.68779249e+01 2.35271621e+01 2.15522664e+01 21 -3.79446592e+01 -3.11106504e+01 1.30456567e+01 22 5.52546650e+01 7.87252301e+01 6.70772268e+01 23 1.89285555e+01 -9.12548272e+00 1.96783533e+01 24 -7.08881411e-01 1.86668330e+01 1.76867381e+01 25 -6.58469679e+01 -1.07341925e+01 1.97003226e+01 26 -1.57621191e+01 6.43523281e+01 -2.27783843e+01 27 5.04223540e+01 -1.07101399e+02 3.63195878e+01 28 -9.00513319e+01 7.91502827e+01 1.62676789e+01 29 -8.52072162e+00 -4.17306424e+01 2.40443094e+01 30 2.51191830e+01 3.99895896e+01 6.36284349e+00 31 4.29163699e+01 -2.73681091e+01 3.46840841e+01 32 2.43707618e+01 4.11957001e+01 4.38471298e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==40905== Memcheck, a memory error detector ==40905== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==40905== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==40905== Command: python runner2.py EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 ==40905== ==41343== Warning: invalid file descriptor 1048564 in syscall close() ==41343== Warning: invalid file descriptor 1048565 in syscall close() ==41343== Warning: invalid file descriptor 1048566 in syscall close() ==41343== Warning: invalid file descriptor 1048567 in syscall close() ==41343== Use --log-fd= to select an alternative log fd. ==41343== Warning: invalid file descriptor 1048568 in syscall close() ==41343== Warning: invalid file descriptor 1048569 in syscall close() ==41344== Warning: invalid file descriptor 1048564 in syscall close() ==41344== Warning: invalid file descriptor 1048565 in syscall close() ==41344== Warning: invalid file descriptor 1048566 in syscall close() ==41344== Warning: invalid file descriptor 1048567 in syscall close() ==41344== Use --log-fd= to select an alternative log fd. ==41344== Warning: invalid file descriptor 1048568 in syscall close() ==41344== Warning: invalid file descriptor 1048569 in syscall close() ==41347== Warning: invalid file descriptor 1048564 in syscall close() ==41347== Warning: invalid file descriptor 1048565 in syscall close() ==41347== Warning: invalid file descriptor 1048566 in syscall close() ==41347== Warning: invalid file descriptor 1048567 in syscall close() ==41347== Use --log-fd= to select an alternative log fd. ==41347== Warning: invalid file descriptor 1048568 in syscall close() ==41347== Warning: invalid file descriptor 1048569 in syscall close() ==41348== Warning: invalid file descriptor 1048564 in syscall close() ==41348== Warning: invalid file descriptor 1048565 in syscall close() ==41348== Warning: invalid file descriptor 1048566 in syscall close() ==41348== Warning: invalid file descriptor 1048567 in syscall close() ==41348== Use --log-fd= to select an alternative log fd. ==41348== Warning: invalid file descriptor 1048568 in syscall close() ==41348== Warning: invalid file descriptor 1048569 in syscall close() ==41349== Warning: invalid file descriptor 1048564 in syscall close() ==41349== Warning: invalid file descriptor 1048565 in syscall close() ==41349== Warning: invalid file descriptor 1048566 in syscall close() ==41349== Warning: invalid file descriptor 1048567 in syscall close() ==41349== Use --log-fd= to select an alternative log fd. ==41349== Warning: invalid file descriptor 1048568 in syscall close() ==41349== Warning: invalid file descriptor 1048569 in syscall close() ==41350== Warning: invalid file descriptor 1048564 in syscall close() ==41350== Warning: invalid file descriptor 1048565 in syscall close() ==41350== Warning: invalid file descriptor 1048566 in syscall close() ==41350== Warning: invalid file descriptor 1048567 in syscall close() ==41350== Use --log-fd= to select an alternative log fd. ==41350== Warning: invalid file descriptor 1048568 in syscall close() ==41350== Warning: invalid file descriptor 1048569 in syscall close() ==40905== ==40905== HEAP SUMMARY: ==40905== in use at exit: 1,718,292 bytes in 1,321 blocks ==40905== total heap usage: 31,120 allocs, 29,799 frees, 125,050,034 bytes allocated ==40905== ==40905== LEAK SUMMARY: ==40905== definitely lost: 0 bytes in 0 blocks ==40905== indirectly lost: 0 bytes in 0 blocks ==40905== possibly lost: 178,943 bytes in 97 blocks ==40905== still reachable: 1,539,349 bytes in 1,224 blocks ==40905== suppressed: 0 bytes in 0 blocks ==40905== Rerun with --leak-check=full to see details of leaked memory ==40905== ==40905== For counts of detected and suppressed errors, rerun with: -v ==40905== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16382 from 615) ================================================================================ 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.