!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_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 = 840.928764856622 Forces: 1 -3.95167146e+01 -6.02291255e+01 -7.15777356e+01 2 -3.27642288e+01 4.16727392e+01 -4.17894355e+01 3 4.11346533e+01 -7.58653790e+01 -2.95439638e+01 4 -4.66741913e+01 2.21741203e+01 1.84660313e+01 5 9.96598618e-01 -9.32610032e+01 -4.31616997e+01 6 4.69558904e+01 3.75249916e+01 -5.49027979e+01 7 8.09864106e+01 -1.38638398e+02 -7.64979550e+01 8 -7.38869342e+01 -7.57558985e+01 -2.88633504e+01 9 -6.72438306e+01 -5.99230112e+01 -1.14906842e+02 10 -2.74493965e+01 1.54047476e+02 -1.23715470e+02 11 -3.71543394e+01 -1.03559169e+02 2.81289861e+01 12 -8.48090253e+01 1.22812650e+02 9.92788359e+00 13 3.90677912e+01 -7.94879360e+01 -1.99467084e+02 14 4.37854521e+01 6.34310244e+01 -5.16559111e+01 15 1.87129429e+02 -3.51968482e+01 1.14779613e+01 16 5.61792106e+01 1.95731113e+02 5.33851149e+01 17 -1.23097794e+02 -6.58254173e+01 -3.62462586e+01 18 2.21833086e+01 8.96705049e+01 -6.56684627e+00 19 4.24661187e+01 -1.18978124e+02 7.09734990e+01 20 -5.27773251e+01 7.27168580e+01 6.28335891e+01 21 -9.34129245e+01 -7.91726173e+01 3.26017523e+01 22 1.29025407e+02 1.16167581e+02 7.07046463e+01 23 3.48286365e+01 -1.66468078e+01 7.53209642e+01 24 5.11034829e+01 3.18035018e+01 4.83420171e+01 25 -9.60651473e+01 -4.29291892e+01 1.05939884e+02 26 -4.18433863e+01 1.43501560e+02 -4.68432699e+01 27 6.18783816e+00 -1.46737365e+02 6.56308178e+01 28 -1.18586911e+02 8.65945785e+01 2.93781727e+01 29 -4.02413792e+01 -9.01666410e+01 6.52527700e+01 30 6.38583271e+01 1.07039948e+02 -4.02465198e+01 31 8.98105702e+01 -1.03883578e+02 1.00497249e+02 32 3.98244046e+01 1.01367863e+02 1.17123800e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 840.928764856622 Forces: 1 -3.95167146e+01 -6.02291255e+01 -7.15777356e+01 2 -3.27642288e+01 4.16727392e+01 -4.17894355e+01 3 4.11346533e+01 -7.58653790e+01 -2.95439638e+01 4 -4.66741913e+01 2.21741203e+01 1.84660313e+01 5 9.96598618e-01 -9.32610032e+01 -4.31616997e+01 6 4.69558904e+01 3.75249916e+01 -5.49027979e+01 7 8.09864106e+01 -1.38638398e+02 -7.64979550e+01 8 -7.38869342e+01 -7.57558985e+01 -2.88633504e+01 9 -6.72438306e+01 -5.99230112e+01 -1.14906842e+02 10 -2.74493965e+01 1.54047476e+02 -1.23715470e+02 11 -3.71543394e+01 -1.03559169e+02 2.81289861e+01 12 -8.48090253e+01 1.22812650e+02 9.92788359e+00 13 3.90677912e+01 -7.94879360e+01 -1.99467084e+02 14 4.37854521e+01 6.34310244e+01 -5.16559111e+01 15 1.87129429e+02 -3.51968482e+01 1.14779613e+01 16 5.61792106e+01 1.95731113e+02 5.33851149e+01 17 -1.23097794e+02 -6.58254173e+01 -3.62462586e+01 18 2.21833086e+01 8.96705049e+01 -6.56684627e+00 19 4.24661187e+01 -1.18978124e+02 7.09734990e+01 20 -5.27773251e+01 7.27168580e+01 6.28335891e+01 21 -9.34129245e+01 -7.91726173e+01 3.26017523e+01 22 1.29025407e+02 1.16167581e+02 7.07046463e+01 23 3.48286365e+01 -1.66468078e+01 7.53209642e+01 24 5.11034829e+01 3.18035018e+01 4.83420171e+01 25 -9.60651473e+01 -4.29291892e+01 1.05939884e+02 26 -4.18433863e+01 1.43501560e+02 -4.68432699e+01 27 6.18783816e+00 -1.46737365e+02 6.56308178e+01 28 -1.18586911e+02 8.65945785e+01 2.93781727e+01 29 -4.02413792e+01 -9.01666410e+01 6.52527700e+01 30 6.38583271e+01 1.07039948e+02 -4.02465198e+01 31 8.98105702e+01 -1.03883578e+02 1.00497249e+02 32 3.98244046e+01 1.01367863e+02 1.17123800e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1446899== Memcheck, a memory error detector ==1446899== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1446899== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1446899== Command: python runner2.py EAM_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000 ==1446899== ==1447893== Warning: invalid file descriptor 1024 in syscall close() ==1447893== Warning: invalid file descriptor 1025 in syscall close() ==1447893== Warning: invalid file descriptor 1026 in syscall close() ==1447893== Warning: invalid file descriptor 1027 in syscall close() ==1447893== Use --log-fd= to select an alternative log fd. ==1447893== Warning: invalid file descriptor 1028 in syscall close() ==1447893== Warning: invalid file descriptor 1029 in syscall close() ==1446899== ==1446899== HEAP SUMMARY: ==1446899== in use at exit: 2,257,559 bytes in 1,700 blocks ==1446899== total heap usage: 45,235 allocs, 43,535 frees, 185,991,515 bytes allocated ==1446899== ==1446899== LEAK SUMMARY: ==1446899== definitely lost: 0 bytes in 0 blocks ==1446899== indirectly lost: 0 bytes in 0 blocks ==1446899== possibly lost: 180,827 bytes in 103 blocks ==1446899== still reachable: 2,076,700 bytes in 1,596 blocks ==1446899== of which reachable via heuristic: ==1446899== stdstring : 38 bytes in 1 blocks ==1446899== suppressed: 32 bytes in 1 blocks ==1446899== Rerun with --leak-check=full to see details of leaked memory ==1446899== ==1446899== For lists of detected and suppressed errors, rerun with: -s ==1446899== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7784 from 569) ================================================================================ 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.