!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AcklandVitek_1990_Cu__MO_642748370624_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -60.69604213636372 Forces: 1 -3.06769691e-01 -1.44314815e+00 -1.12114318e+00 2 -4.58502887e-01 4.81580626e-01 -1.68420572e+00 3 1.43937291e+00 -3.18392417e+00 -2.81930999e+00 4 -2.17883936e+00 1.12872650e+00 4.98491269e-01 5 -2.10553554e-01 -2.59833872e+00 -7.31694273e-01 6 1.02791803e+00 1.07066476e+00 -1.23833583e+00 7 2.19485830e+00 -4.23355845e+00 -2.62597178e+00 8 -2.54468074e+00 -2.04129523e+00 -1.19322952e+00 9 -2.85870194e+00 -1.80821226e+00 -3.76778937e+00 10 7.07617859e-01 4.61397334e+00 -3.22283288e+00 11 -1.08358919e+00 -2.80949550e+00 2.05742702e+00 12 -2.74187985e+00 2.67550929e+00 1.37493462e+00 13 7.76083475e-01 -2.35937038e+00 -6.61431576e+00 14 1.82618290e+00 1.78404140e+00 -1.48360194e+00 15 6.72153307e+00 -2.07973710e+00 -1.64305033e+00 16 -1.13407259e+00 6.73035216e+00 1.10669727e+00 17 -4.23703456e+00 -1.79336433e+00 -5.94331381e-01 18 8.00507989e-01 3.23715629e+00 9.06585713e-01 19 1.25420087e+00 -2.50023232e+00 2.65187443e+00 20 -1.25443309e+00 1.83018949e+00 1.60943433e+00 21 -1.76191047e+00 -3.69185447e+00 9.98996690e-01 22 4.65839052e+00 2.59585159e+00 2.24654419e+00 23 1.99221083e+00 -9.34085798e-01 1.71307616e+00 24 -1.59253433e+00 1.74242963e+00 1.45306773e+00 25 -3.15192638e+00 -2.13980078e+00 -1.09264441e+00 26 1.62433159e-01 4.41780581e+00 -2.43935481e+00 27 1.05157312e+01 -1.40014950e+01 3.57132152e+00 28 -1.24723963e+01 1.25654969e+01 2.11476119e+00 29 -2.98279983e+00 -2.23044973e+00 3.15402680e+00 30 2.80427263e+00 4.11871577e+00 1.22677648e+00 31 3.13965407e+00 -1.72386037e+00 2.65250313e+00 32 9.49656956e-01 2.57972928e+00 2.93529264e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -60.69604213636372 Forces: 1 -3.06769691e-01 -1.44314815e+00 -1.12114318e+00 2 -4.58502887e-01 4.81580626e-01 -1.68420572e+00 3 1.43937291e+00 -3.18392417e+00 -2.81930999e+00 4 -2.17883936e+00 1.12872650e+00 4.98491269e-01 5 -2.10553554e-01 -2.59833872e+00 -7.31694273e-01 6 1.02791803e+00 1.07066476e+00 -1.23833583e+00 7 2.19485830e+00 -4.23355845e+00 -2.62597178e+00 8 -2.54468074e+00 -2.04129523e+00 -1.19322952e+00 9 -2.85870194e+00 -1.80821226e+00 -3.76778937e+00 10 7.07617859e-01 4.61397334e+00 -3.22283288e+00 11 -1.08358919e+00 -2.80949550e+00 2.05742702e+00 12 -2.74187985e+00 2.67550929e+00 1.37493462e+00 13 7.76083475e-01 -2.35937038e+00 -6.61431576e+00 14 1.82618290e+00 1.78404140e+00 -1.48360194e+00 15 6.72153307e+00 -2.07973710e+00 -1.64305033e+00 16 -1.13407259e+00 6.73035216e+00 1.10669727e+00 17 -4.23703456e+00 -1.79336433e+00 -5.94331381e-01 18 8.00507989e-01 3.23715629e+00 9.06585713e-01 19 1.25420087e+00 -2.50023232e+00 2.65187443e+00 20 -1.25443309e+00 1.83018949e+00 1.60943433e+00 21 -1.76191047e+00 -3.69185447e+00 9.98996690e-01 22 4.65839052e+00 2.59585159e+00 2.24654419e+00 23 1.99221083e+00 -9.34085798e-01 1.71307616e+00 24 -1.59253433e+00 1.74242963e+00 1.45306773e+00 25 -3.15192638e+00 -2.13980078e+00 -1.09264441e+00 26 1.62433159e-01 4.41780581e+00 -2.43935481e+00 27 1.05157312e+01 -1.40014950e+01 3.57132152e+00 28 -1.24723963e+01 1.25654969e+01 2.11476119e+00 29 -2.98279983e+00 -2.23044973e+00 3.15402680e+00 30 2.80427263e+00 4.11871577e+00 1.22677648e+00 31 3.13965407e+00 -1.72386037e+00 2.65250313e+00 32 9.49656956e-01 2.57972928e+00 2.93529264e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==9302== Memcheck, a memory error detector ==9302== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==9302== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==9302== Command: python runner2.py EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 ==9302== ==10816== Warning: invalid file descriptor 1048564 in syscall close() ==10816== Warning: invalid file descriptor 1048565 in syscall close() ==10816== Warning: invalid file descriptor 1048566 in syscall close() ==10816== Warning: invalid file descriptor 1048567 in syscall close() ==10816== Use --log-fd= to select an alternative log fd. ==10816== Warning: invalid file descriptor 1048568 in syscall close() ==10816== Warning: invalid file descriptor 1048569 in syscall close() ==10821== Warning: invalid file descriptor 1048564 in syscall close() ==10821== Warning: invalid file descriptor 1048565 in syscall close() ==10821== Warning: invalid file descriptor 1048566 in syscall close() ==10821== Warning: invalid file descriptor 1048567 in syscall close() ==10821== Use --log-fd= to select an alternative log fd. ==10821== Warning: invalid file descriptor 1048568 in syscall close() ==10821== Warning: invalid file descriptor 1048569 in syscall close() ==10978== Warning: invalid file descriptor 1048564 in syscall close() ==10978== Warning: invalid file descriptor 1048565 in syscall close() ==10978== Warning: invalid file descriptor 1048566 in syscall close() ==10978== Warning: invalid file descriptor 1048567 in syscall close() ==10978== Use --log-fd= to select an alternative log fd. ==10978== Warning: invalid file descriptor 1048568 in syscall close() ==10978== Warning: invalid file descriptor 1048569 in syscall close() ==10979== Warning: invalid file descriptor 1048564 in syscall close() ==10979== Warning: invalid file descriptor 1048565 in syscall close() ==10979== Warning: invalid file descriptor 1048566 in syscall close() ==10979== Warning: invalid file descriptor 1048567 in syscall close() ==10979== Use --log-fd= to select an alternative log fd. ==10979== Warning: invalid file descriptor 1048568 in syscall close() ==10979== Warning: invalid file descriptor 1048569 in syscall close() ==10995== Warning: invalid file descriptor 1048564 in syscall close() ==10995== Warning: invalid file descriptor 1048565 in syscall close() ==10995== Warning: invalid file descriptor 1048566 in syscall close() ==10995== Warning: invalid file descriptor 1048567 in syscall close() ==10995== Use --log-fd= to select an alternative log fd. ==10995== Warning: invalid file descriptor 1048568 in syscall close() ==10995== Warning: invalid file descriptor 1048569 in syscall close() ==11005== Warning: invalid file descriptor 1048564 in syscall close() ==11005== Warning: invalid file descriptor 1048565 in syscall close() ==11005== Warning: invalid file descriptor 1048566 in syscall close() ==11005== Warning: invalid file descriptor 1048567 in syscall close() ==11005== Use --log-fd= to select an alternative log fd. ==11005== Warning: invalid file descriptor 1048568 in syscall close() ==11005== Warning: invalid file descriptor 1048569 in syscall close() ==9302== ==9302== HEAP SUMMARY: ==9302== in use at exit: 1,718,292 bytes in 1,321 blocks ==9302== total heap usage: 31,348 allocs, 30,027 frees, 47,319,461 bytes allocated ==9302== ==9302== LEAK SUMMARY: ==9302== definitely lost: 0 bytes in 0 blocks ==9302== indirectly lost: 0 bytes in 0 blocks ==9302== possibly lost: 178,943 bytes in 97 blocks ==9302== still reachable: 1,539,349 bytes in 1,224 blocks ==9302== suppressed: 0 bytes in 0 blocks ==9302== Rerun with --leak-check=full to see details of leaked memory ==9302== ==9302== For counts of detected and suppressed errors, rerun with: -v ==9302== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 11277 from 613) ================================================================================ 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.