!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_GrocholaRusso_2005_Au__MO_557267801129_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 = 7.546764517507812 Forces: 1 -1.75546819e+01 -2.57869968e+01 -3.71090034e+01 2 1.24935223e+00 2.35513988e+01 -2.23282996e+01 3 2.06675190e+01 -3.85979562e+01 1.48434766e+01 4 -2.36058525e+01 4.25844587e+01 2.43124558e+01 5 8.25226886e+00 -1.62110460e+01 -7.35019408e+00 6 2.36466746e+00 2.38902169e+00 -4.94846681e+00 7 1.38663898e+01 -4.49414205e+01 -3.71832960e+01 8 -2.65423360e+01 -2.07092180e+01 -4.68541197e+00 9 -2.28202520e+00 -5.22366508e-01 -3.81783479e+00 10 -6.99667854e+00 9.46448392e+00 -2.07991891e+01 11 -6.62694104e+00 -1.39896817e+01 -3.90270439e+00 12 -8.87720889e+00 7.34189976e+00 6.90884775e-01 13 -1.45499156e+01 -1.36469185e+01 -5.56397125e+01 14 3.70805912e+00 5.28973541e+00 -3.15948715e+00 15 5.49702248e+01 4.45764228e+00 1.30659922e+01 16 1.07521712e+01 3.86304439e+01 1.64509012e+01 17 -1.76948893e+01 -9.98800168e+00 -2.26568858e+00 18 9.07411057e+00 1.77591457e+01 -5.08750974e+00 19 4.62736212e+01 -5.77571416e+01 1.13309372e+01 20 -4.72887942e+01 4.89862530e+01 1.35173744e+01 21 -1.21719991e+01 -1.09862461e+01 8.08292801e+00 22 2.32198827e+01 3.41202490e+01 3.63016089e+01 23 2.59421577e+00 -1.71019621e+00 4.85475057e+00 24 1.40882022e+00 4.32809962e+00 6.02662839e+00 25 -1.79076323e+01 -7.57063398e+00 6.22606467e+00 26 -4.17512872e+00 2.19130511e+01 -6.52982051e+00 27 1.57331191e+01 -3.72136593e+01 1.42171834e+01 28 -2.97498050e+01 2.69349717e+01 2.83847544e+00 29 -6.33728279e+00 -5.43080981e+00 1.66697851e+01 30 6.28259953e+00 9.96541865e+00 6.84653184e+00 31 9.31852375e+00 -2.07693915e+00 8.39359666e+00 32 1.26256257e+01 9.42295890e+00 1.01370434e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.546764517507812 Forces: 1 -1.75546819e+01 -2.57869968e+01 -3.71090034e+01 2 1.24935223e+00 2.35513988e+01 -2.23282996e+01 3 2.06675190e+01 -3.85979562e+01 1.48434766e+01 4 -2.36058525e+01 4.25844587e+01 2.43124558e+01 5 8.25226886e+00 -1.62110460e+01 -7.35019408e+00 6 2.36466746e+00 2.38902169e+00 -4.94846681e+00 7 1.38663898e+01 -4.49414205e+01 -3.71832960e+01 8 -2.65423360e+01 -2.07092180e+01 -4.68541197e+00 9 -2.28202520e+00 -5.22366508e-01 -3.81783479e+00 10 -6.99667854e+00 9.46448392e+00 -2.07991891e+01 11 -6.62694104e+00 -1.39896817e+01 -3.90270439e+00 12 -8.87720889e+00 7.34189976e+00 6.90884775e-01 13 -1.45499156e+01 -1.36469185e+01 -5.56397125e+01 14 3.70805912e+00 5.28973541e+00 -3.15948715e+00 15 5.49702248e+01 4.45764228e+00 1.30659922e+01 16 1.07521712e+01 3.86304439e+01 1.64509012e+01 17 -1.76948893e+01 -9.98800168e+00 -2.26568858e+00 18 9.07411057e+00 1.77591457e+01 -5.08750974e+00 19 4.62736212e+01 -5.77571416e+01 1.13309372e+01 20 -4.72887942e+01 4.89862530e+01 1.35173744e+01 21 -1.21719991e+01 -1.09862461e+01 8.08292801e+00 22 2.32198827e+01 3.41202490e+01 3.63016089e+01 23 2.59421577e+00 -1.71019621e+00 4.85475057e+00 24 1.40882022e+00 4.32809962e+00 6.02662839e+00 25 -1.79076323e+01 -7.57063398e+00 6.22606467e+00 26 -4.17512872e+00 2.19130511e+01 -6.52982051e+00 27 1.57331191e+01 -3.72136593e+01 1.42171834e+01 28 -2.97498050e+01 2.69349717e+01 2.83847544e+00 29 -6.33728279e+00 -5.43080981e+00 1.66697851e+01 30 6.28259953e+00 9.96541865e+00 6.84653184e+00 31 9.31852375e+00 -2.07693915e+00 8.39359666e+00 32 1.26256257e+01 9.42295890e+00 1.01370434e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1443597== Memcheck, a memory error detector ==1443597== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1443597== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1443597== Command: python runner2.py EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_000 ==1443597== ==1445092== Warning: invalid file descriptor 1024 in syscall close() ==1445092== Warning: invalid file descriptor 1025 in syscall close() ==1445092== Warning: invalid file descriptor 1026 in syscall close() ==1445092== Warning: invalid file descriptor 1027 in syscall close() ==1445092== Use --log-fd= to select an alternative log fd. ==1445092== Warning: invalid file descriptor 1028 in syscall close() ==1445092== Warning: invalid file descriptor 1029 in syscall close() ==1443597== ==1443597== HEAP SUMMARY: ==1443597== in use at exit: 2,257,591 bytes in 1,701 blocks ==1443597== total heap usage: 47,935 allocs, 46,234 frees, 76,639,734 bytes allocated ==1443597== ==1443597== LEAK SUMMARY: ==1443597== definitely lost: 0 bytes in 0 blocks ==1443597== indirectly lost: 0 bytes in 0 blocks ==1443597== possibly lost: 180,827 bytes in 103 blocks ==1443597== still reachable: 2,076,732 bytes in 1,597 blocks ==1443597== of which reachable via heuristic: ==1443597== stdstring : 38 bytes in 1 blocks ==1443597== suppressed: 32 bytes in 1 blocks ==1443597== Rerun with --leak-check=full to see details of leaked memory ==1443597== ==1443597== For lists of detected and suppressed errors, rerun with: -s ==1443597== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7775 from 535) ================================================================================ 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.