!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SW_StillingerWeber_1985_Si__MO_405512056662_006 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 533.5068322471383 Forces: 1 -2.04948361e+01 -2.91919025e+01 -2.63264859e+01 2 -8.04133993e+00 -1.10097731e+01 -6.20205520e+01 3 -1.02395709e+01 -5.74654688e+01 -1.30722707e+01 4 -5.65695595e+01 -1.67768387e+00 -5.08854178e-01 5 5.73599437e+00 -4.26791872e+01 -3.21509847e+01 6 3.50466281e+01 -9.22661000e+00 -3.97247932e+01 7 3.56174263e+01 -6.01646637e+01 -2.81673467e+01 8 9.49408978e-01 -3.56186623e+01 -1.43180135e+00 9 -3.01165774e+01 1.31478277e+01 -4.74969609e+01 10 -1.95557866e+01 4.62453898e+01 -5.11010026e+01 11 -4.22403251e+01 -1.29738051e+00 -1.69251770e+01 12 -4.46145393e+01 4.13379074e+01 -1.34666386e+01 13 2.95210692e+00 9.45003316e+00 -1.00464339e+02 14 2.60723372e+01 2.19809179e+01 -2.30919788e+01 15 1.02397663e+02 8.51819347e+00 -1.40679549e-01 16 1.88893344e+01 8.99930748e+01 -1.58216316e+01 17 -3.68392763e+01 -2.23809160e+01 7.23859078e+00 18 -1.73856849e+01 -7.80403367e+00 2.20899331e+01 19 -3.13197593e-01 -2.54795875e+01 3.44178671e+01 20 -2.12040804e+01 3.15660088e+00 2.22488615e+01 21 5.12561630e+00 -5.28695875e+01 2.14728228e+01 22 6.34180309e+01 6.43499441e+00 2.65051682e+01 23 1.95062230e+01 -1.28056964e+01 2.46644553e+01 24 2.46484419e+00 -1.00123147e+01 5.20409356e+01 25 -6.95962574e+01 -1.15728583e+01 2.43898131e+01 26 -1.91574142e+01 7.41261175e+01 1.13435844e+01 27 -1.14685895e+01 -3.01316941e+01 5.67111251e+01 28 -4.78840740e+01 3.19460970e+01 2.45615574e+01 29 2.15453041e+01 2.87437742e+00 3.90088546e+01 30 4.82924106e+01 3.73484051e+01 5.50852849e+00 31 5.11616906e+01 -5.04947057e+00 4.55365100e+01 32 1.65460900e+01 3.98775543e+01 5.41728889e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 533.5068322471383 Forces: 1 -2.04948361e+01 -2.91919025e+01 -2.63264859e+01 2 -8.04133993e+00 -1.10097731e+01 -6.20205520e+01 3 -1.02395709e+01 -5.74654688e+01 -1.30722707e+01 4 -5.65695595e+01 -1.67768387e+00 -5.08854178e-01 5 5.73599437e+00 -4.26791872e+01 -3.21509847e+01 6 3.50466281e+01 -9.22661000e+00 -3.97247932e+01 7 3.56174263e+01 -6.01646637e+01 -2.81673467e+01 8 9.49408978e-01 -3.56186623e+01 -1.43180135e+00 9 -3.01165774e+01 1.31478277e+01 -4.74969609e+01 10 -1.95557866e+01 4.62453898e+01 -5.11010026e+01 11 -4.22403251e+01 -1.29738051e+00 -1.69251770e+01 12 -4.46145393e+01 4.13379074e+01 -1.34666386e+01 13 2.95210692e+00 9.45003316e+00 -1.00464339e+02 14 2.60723372e+01 2.19809179e+01 -2.30919788e+01 15 1.02397663e+02 8.51819347e+00 -1.40679549e-01 16 1.88893344e+01 8.99930748e+01 -1.58216316e+01 17 -3.68392763e+01 -2.23809160e+01 7.23859078e+00 18 -1.73856849e+01 -7.80403367e+00 2.20899331e+01 19 -3.13197593e-01 -2.54795875e+01 3.44178671e+01 20 -2.12040804e+01 3.15660088e+00 2.22488615e+01 21 5.12561630e+00 -5.28695875e+01 2.14728228e+01 22 6.34180309e+01 6.43499441e+00 2.65051682e+01 23 1.95062230e+01 -1.28056964e+01 2.46644553e+01 24 2.46484419e+00 -1.00123147e+01 5.20409356e+01 25 -6.95962574e+01 -1.15728583e+01 2.43898131e+01 26 -1.91574142e+01 7.41261175e+01 1.13435844e+01 27 -1.14685895e+01 -3.01316941e+01 5.67111251e+01 28 -4.78840740e+01 3.19460970e+01 2.45615574e+01 29 2.15453041e+01 2.87437742e+00 3.90088546e+01 30 4.82924106e+01 3.73484051e+01 5.50852849e+00 31 5.11616906e+01 -5.04947057e+00 4.55365100e+01 32 1.65460900e+01 3.98775543e+01 5.41728889e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1189548== Memcheck, a memory error detector ==1189548== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1189548== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1189548== Command: python runner2.py SW_StillingerWeber_1985_Si__MO_405512056662_006 ==1189548== ==1190005== Warning: invalid file descriptor 1024 in syscall close() ==1190005== Warning: invalid file descriptor 1025 in syscall close() ==1190005== Warning: invalid file descriptor 1026 in syscall close() ==1190005== Warning: invalid file descriptor 1027 in syscall close() ==1190005== Use --log-fd= to select an alternative log fd. ==1190005== Warning: invalid file descriptor 1028 in syscall close() ==1190005== Warning: invalid file descriptor 1029 in syscall close() ==1189548== ==1189548== HEAP SUMMARY: ==1189548== in use at exit: 2,257,559 bytes in 1,700 blocks ==1189548== total heap usage: 46,089 allocs, 44,389 frees, 58,232,067 bytes allocated ==1189548== ==1189548== LEAK SUMMARY: ==1189548== definitely lost: 0 bytes in 0 blocks ==1189548== indirectly lost: 0 bytes in 0 blocks ==1189548== possibly lost: 180,827 bytes in 103 blocks ==1189548== still reachable: 2,076,700 bytes in 1,596 blocks ==1189548== of which reachable via heuristic: ==1189548== stdstring : 38 bytes in 1 blocks ==1189548== suppressed: 32 bytes in 1 blocks ==1189548== Rerun with --leak-check=full to see details of leaked memory ==1189548== ==1189548== For lists of detected and suppressed errors, rerun with: -s ==1189548== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7792 from 547) ================================================================================ 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.