!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Zhakhovsky_2009_Au__MO_173248269481_000 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 555.7415144330319 Forces: 1 -1.78932969e+01 -3.97662065e+01 -4.04486677e+01 2 -4.29201791e+01 7.21031967e+01 -4.39900607e+01 3 5.54688769e+00 -2.60367680e+01 1.06976226e+01 4 -2.47417231e+01 2.87757052e+01 2.34154219e+01 5 6.24963009e+01 -8.94478125e+01 -1.41756885e+01 6 1.57410134e+01 6.21940589e+00 -2.79298546e+01 7 2.87923029e+01 -1.31569160e+02 -1.24494985e+02 8 -6.86457540e+01 -5.34625481e+01 -1.36394317e+01 9 -3.23214652e+01 -6.33934376e+01 -9.27366829e+01 10 -1.20628903e+01 7.85460477e+01 -8.97021818e+01 11 -3.37148593e+01 -6.06333052e+01 3.14933922e+01 12 -5.81939110e+01 7.30044069e+01 5.85253849e+01 13 -3.55877345e+01 -5.97675688e+01 -1.80523737e+02 14 3.57646048e+01 4.57180662e+01 -3.22188219e+01 15 1.59762635e+02 -4.45520512e+01 2.59380647e+01 16 2.01693541e+01 1.33450188e+02 5.73278330e+01 17 -8.04170427e+01 -5.58563390e+01 -2.82740709e+01 18 6.07016455e+01 7.83243357e+01 -7.43537905e+01 19 2.73445387e+01 -9.31452221e+01 5.78414070e+01 20 -6.53213461e+01 3.10486092e+01 7.49045263e+01 21 -5.57892098e+01 -4.50387797e+01 3.09146217e+01 22 9.18493151e+01 9.81100321e+01 1.01747674e+02 23 2.05746866e+01 -8.95829167e+00 2.80155863e+01 24 2.38582567e+01 2.06668657e+01 3.19864569e+01 25 -6.14289713e+01 -1.92234257e+01 -2.08102711e+01 26 -2.72196507e+01 8.91164260e+01 -4.08353615e+01 27 6.26287484e+01 -1.39555969e+02 6.46405109e+01 28 -1.21791431e+02 1.10551228e+02 3.10772609e+01 29 -3.26776198e+01 -4.12074605e+01 4.30882833e+01 30 4.55029355e+01 7.18718438e+01 3.78561296e+01 31 6.97978747e+01 -3.02954247e+01 4.67498455e+01 32 4.01959855e+01 6.44034128e+01 6.79135842e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 555.7415144330319 Forces: 1 -1.78932969e+01 -3.97662065e+01 -4.04486677e+01 2 -4.29201791e+01 7.21031967e+01 -4.39900607e+01 3 5.54688769e+00 -2.60367680e+01 1.06976226e+01 4 -2.47417231e+01 2.87757052e+01 2.34154219e+01 5 6.24963009e+01 -8.94478125e+01 -1.41756885e+01 6 1.57410134e+01 6.21940589e+00 -2.79298546e+01 7 2.87923029e+01 -1.31569160e+02 -1.24494985e+02 8 -6.86457540e+01 -5.34625481e+01 -1.36394317e+01 9 -3.23214652e+01 -6.33934376e+01 -9.27366829e+01 10 -1.20628903e+01 7.85460477e+01 -8.97021818e+01 11 -3.37148593e+01 -6.06333052e+01 3.14933922e+01 12 -5.81939110e+01 7.30044069e+01 5.85253849e+01 13 -3.55877345e+01 -5.97675688e+01 -1.80523737e+02 14 3.57646048e+01 4.57180662e+01 -3.22188219e+01 15 1.59762635e+02 -4.45520512e+01 2.59380647e+01 16 2.01693541e+01 1.33450188e+02 5.73278330e+01 17 -8.04170427e+01 -5.58563390e+01 -2.82740709e+01 18 6.07016455e+01 7.83243357e+01 -7.43537905e+01 19 2.73445387e+01 -9.31452221e+01 5.78414070e+01 20 -6.53213461e+01 3.10486092e+01 7.49045263e+01 21 -5.57892098e+01 -4.50387797e+01 3.09146217e+01 22 9.18493151e+01 9.81100321e+01 1.01747674e+02 23 2.05746866e+01 -8.95829167e+00 2.80155863e+01 24 2.38582567e+01 2.06668657e+01 3.19864569e+01 25 -6.14289713e+01 -1.92234257e+01 -2.08102711e+01 26 -2.72196507e+01 8.91164260e+01 -4.08353615e+01 27 6.26287484e+01 -1.39555969e+02 6.46405109e+01 28 -1.21791431e+02 1.10551228e+02 3.10772609e+01 29 -3.26776198e+01 -4.12074605e+01 4.30882833e+01 30 4.55029355e+01 7.18718438e+01 3.78561296e+01 31 6.97978747e+01 -3.02954247e+01 4.67498455e+01 32 4.01959855e+01 6.44034128e+01 6.79135842e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1304771== Memcheck, a memory error detector ==1304771== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1304771== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1304771== Command: python runner2.py EAM_Dynamo_Zhakhovsky_2009_Au__MO_173248269481_000 ==1304771== ==1306150== Warning: invalid file descriptor 1024 in syscall close() ==1306150== Warning: invalid file descriptor 1025 in syscall close() ==1306150== Warning: invalid file descriptor 1026 in syscall close() ==1306150== Warning: invalid file descriptor 1027 in syscall close() ==1306150== Use --log-fd= to select an alternative log fd. ==1306150== Warning: invalid file descriptor 1028 in syscall close() ==1306150== Warning: invalid file descriptor 1029 in syscall close() ==1304771== ==1304771== HEAP SUMMARY: ==1304771== in use at exit: 2,257,559 bytes in 1,700 blocks ==1304771== total heap usage: 45,263 allocs, 43,563 frees, 69,203,729 bytes allocated ==1304771== ==1304771== LEAK SUMMARY: ==1304771== definitely lost: 0 bytes in 0 blocks ==1304771== indirectly lost: 0 bytes in 0 blocks ==1304771== possibly lost: 180,827 bytes in 103 blocks ==1304771== still reachable: 2,076,700 bytes in 1,596 blocks ==1304771== of which reachable via heuristic: ==1304771== stdstring : 38 bytes in 1 blocks ==1304771== suppressed: 32 bytes in 1 blocks ==1304771== Rerun with --leak-check=full to see details of leaked memory ==1304771== ==1304771== For lists of detected and suppressed errors, rerun with: -s ==1304771== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7755 from 541) ================================================================================ 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.