!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_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 = 14.935043731159102 Forces: 1 -3.27326940e+00 -8.23296955e+00 -6.97866122e+00 2 -2.35822137e+00 1.71404070e+00 -8.35261951e+00 3 3.11514666e+00 -8.21630779e+00 -2.91624142e+00 4 -6.58488679e+00 5.10293689e+00 4.30539863e+00 5 1.39872370e+00 -9.60100525e+00 -4.37767966e+00 6 5.63182037e+00 1.12180151e+00 -6.59055212e+00 7 5.84013668e+00 -1.34609011e+01 -8.55652048e+00 8 -5.25695264e+00 -5.95235292e+00 1.97375675e+00 9 -8.15191736e+00 -7.94323062e-02 -9.96422488e+00 10 -3.13143373e+00 1.25892897e+01 -1.09973415e+01 11 -4.40084354e+00 -7.06155088e+00 5.55335641e+00 12 -6.68906611e+00 8.94176266e+00 -2.56075728e+00 13 1.77988691e-01 -3.69318823e+00 -2.16050220e+01 14 5.67497584e+00 6.39760943e+00 -4.97264605e+00 15 1.90264046e+01 -2.71062030e+00 2.83787510e+00 16 1.52997506e+00 1.68550079e+01 5.39461838e+00 17 -9.90104383e+00 -4.84170175e+00 7.78866240e-01 18 2.73582620e+00 6.00583301e+00 1.18045482e+00 19 8.58316723e-01 -7.56137961e+00 5.10809583e+00 20 -4.76925771e+00 2.77246619e+00 4.56408466e+00 21 -5.13543002e+00 -8.10247733e+00 2.33064435e+00 22 1.10022480e+01 8.91071370e+00 7.37962680e+00 23 4.91910358e+00 -2.63896651e+00 5.26105042e+00 24 -6.81474941e-01 3.64578513e+00 5.69482560e+00 25 -7.57342407e+00 -6.68593719e+00 2.07996232e+00 26 -2.26039756e+00 1.22009785e+01 -3.57147832e+00 27 3.69377075e+00 -1.34728294e+01 8.78918590e+00 28 -1.22284248e+01 1.02095306e+01 4.57001048e+00 29 -3.41623614e+00 -7.27046957e+00 4.24832852e+00 30 6.99144072e+00 8.85465119e+00 1.95625149e+00 31 8.68811395e+00 -4.04794102e+00 7.78134661e+00 32 4.52828839e+00 8.30762360e+00 9.65600519e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 14.935043731159102 Forces: 1 -3.27326940e+00 -8.23296955e+00 -6.97866122e+00 2 -2.35822137e+00 1.71404070e+00 -8.35261951e+00 3 3.11514666e+00 -8.21630779e+00 -2.91624142e+00 4 -6.58488679e+00 5.10293689e+00 4.30539863e+00 5 1.39872370e+00 -9.60100525e+00 -4.37767966e+00 6 5.63182037e+00 1.12180151e+00 -6.59055212e+00 7 5.84013668e+00 -1.34609011e+01 -8.55652048e+00 8 -5.25695264e+00 -5.95235292e+00 1.97375675e+00 9 -8.15191736e+00 -7.94323062e-02 -9.96422488e+00 10 -3.13143373e+00 1.25892897e+01 -1.09973415e+01 11 -4.40084354e+00 -7.06155088e+00 5.55335641e+00 12 -6.68906611e+00 8.94176266e+00 -2.56075728e+00 13 1.77988691e-01 -3.69318823e+00 -2.16050220e+01 14 5.67497584e+00 6.39760943e+00 -4.97264605e+00 15 1.90264046e+01 -2.71062030e+00 2.83787510e+00 16 1.52997506e+00 1.68550079e+01 5.39461838e+00 17 -9.90104383e+00 -4.84170175e+00 7.78866240e-01 18 2.73582620e+00 6.00583301e+00 1.18045482e+00 19 8.58316723e-01 -7.56137961e+00 5.10809583e+00 20 -4.76925771e+00 2.77246619e+00 4.56408466e+00 21 -5.13543002e+00 -8.10247733e+00 2.33064435e+00 22 1.10022480e+01 8.91071370e+00 7.37962680e+00 23 4.91910358e+00 -2.63896651e+00 5.26105042e+00 24 -6.81474941e-01 3.64578513e+00 5.69482560e+00 25 -7.57342407e+00 -6.68593719e+00 2.07996232e+00 26 -2.26039756e+00 1.22009785e+01 -3.57147832e+00 27 3.69377075e+00 -1.34728294e+01 8.78918590e+00 28 -1.22284248e+01 1.02095306e+01 4.57001048e+00 29 -3.41623614e+00 -7.27046957e+00 4.24832852e+00 30 6.99144072e+00 8.85465119e+00 1.95625149e+00 31 8.68811395e+00 -4.04794102e+00 7.78134661e+00 32 4.52828839e+00 8.30762360e+00 9.65600519e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==86758== Memcheck, a memory error detector ==86758== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==86758== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==86758== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 ==86758== ==87647== Warning: invalid file descriptor 1048564 in syscall close() ==87647== Warning: invalid file descriptor 1048565 in syscall close() ==87647== Warning: invalid file descriptor 1048566 in syscall close() ==87647== Warning: invalid file descriptor 1048567 in syscall close() ==87647== Use --log-fd= to select an alternative log fd. ==87647== Warning: invalid file descriptor 1048568 in syscall close() ==87647== Warning: invalid file descriptor 1048569 in syscall close() ==87657== Warning: invalid file descriptor 1048564 in syscall close() ==87657== Warning: invalid file descriptor 1048565 in syscall close() ==87657== Warning: invalid file descriptor 1048566 in syscall close() ==87657== Warning: invalid file descriptor 1048567 in syscall close() ==87657== Use --log-fd= to select an alternative log fd. ==87657== Warning: invalid file descriptor 1048568 in syscall close() ==87657== Warning: invalid file descriptor 1048569 in syscall close() ==87766== Warning: invalid file descriptor 1048564 in syscall close() ==87766== Warning: invalid file descriptor 1048565 in syscall close() ==87766== Warning: invalid file descriptor 1048566 in syscall close() ==87766== Warning: invalid file descriptor 1048567 in syscall close() ==87766== Use --log-fd= to select an alternative log fd. ==87766== Warning: invalid file descriptor 1048568 in syscall close() ==87766== Warning: invalid file descriptor 1048569 in syscall close() ==87773== Warning: invalid file descriptor 1048564 in syscall close() ==87773== Warning: invalid file descriptor 1048565 in syscall close() ==87773== Warning: invalid file descriptor 1048566 in syscall close() ==87773== Warning: invalid file descriptor 1048567 in syscall close() ==87773== Use --log-fd= to select an alternative log fd. ==87773== Warning: invalid file descriptor 1048568 in syscall close() ==87773== Warning: invalid file descriptor 1048569 in syscall close() ==87775== Warning: invalid file descriptor 1048564 in syscall close() ==87775== Warning: invalid file descriptor 1048565 in syscall close() ==87775== Warning: invalid file descriptor 1048566 in syscall close() ==87775== Warning: invalid file descriptor 1048567 in syscall close() ==87775== Use --log-fd= to select an alternative log fd. ==87775== Warning: invalid file descriptor 1048568 in syscall close() ==87775== Warning: invalid file descriptor 1048569 in syscall close() ==87786== Warning: invalid file descriptor 1048564 in syscall close() ==87786== Warning: invalid file descriptor 1048565 in syscall close() ==87786== Warning: invalid file descriptor 1048566 in syscall close() ==87786== Warning: invalid file descriptor 1048567 in syscall close() ==87786== Use --log-fd= to select an alternative log fd. ==87786== Warning: invalid file descriptor 1048568 in syscall close() ==87786== Warning: invalid file descriptor 1048569 in syscall close() ==86758== ==86758== HEAP SUMMARY: ==86758== in use at exit: 1,718,292 bytes in 1,321 blocks ==86758== total heap usage: 31,120 allocs, 29,799 frees, 40,378,575 bytes allocated ==86758== ==86758== LEAK SUMMARY: ==86758== definitely lost: 0 bytes in 0 blocks ==86758== indirectly lost: 0 bytes in 0 blocks ==86758== possibly lost: 178,943 bytes in 97 blocks ==86758== still reachable: 1,539,349 bytes in 1,224 blocks ==86758== suppressed: 0 bytes in 0 blocks ==86758== Rerun with --leak-check=full to see details of leaked memory ==86758== ==86758== For counts of detected and suppressed errors, rerun with: -v ==86758== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 13369 from 596) ================================================================================ 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.