Model Extended KIM ID = === Verification check vc-memory-leak start (2018-05-10 19:19:48) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Mendelev_Han_Fe_5__MO_942420706858_004 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 119.740976254 Forces: 1 -1.83458491e+01 -2.01476468e+01 -3.93351378e+01 2 -2.55125949e+01 3.02598353e+01 -6.99210780e+00 3 3.77819670e+01 -4.37723732e+01 -1.99302614e+01 4 -1.38855231e+01 3.66553638e+01 1.61100497e+01 5 7.58144318e+00 -4.64904060e+01 2.14497618e+00 6 2.20110575e+01 2.07671240e+01 -1.83163866e+01 7 2.17222293e+01 -7.74363807e+01 -6.97098780e+01 8 -3.36200690e+01 -2.87938595e+01 -2.91236705e+01 9 -3.19308044e+01 -2.31546474e+01 -5.00973689e+01 10 -2.24168389e+01 5.32990030e+01 -5.66253975e+01 11 -1.93291655e+01 -5.15793054e+01 5.02892480e+01 12 -1.15932929e+01 2.80929815e+01 1.24724715e+01 13 -1.05500715e+01 -4.10628366e+01 -1.07905710e+02 14 1.50703134e+01 2.16860504e+01 -1.11580367e+01 15 1.04616224e+02 -5.41602510e+00 2.15257045e+01 16 2.39041862e+01 8.34492030e+01 4.61120951e+01 17 -3.94369331e+01 -3.29384081e+00 1.01212028e+01 18 -9.43531827e+00 1.57392753e+01 2.85632884e+01 19 1.64747415e+01 -4.56235344e+00 1.48256362e+01 20 -2.19924740e+00 6.51173079e+00 4.99457580e+00 21 -3.22421563e+01 -1.77440670e+01 3.43249281e+01 22 4.15918379e+01 5.94186578e+01 4.00590790e+01 23 2.28408122e+00 -7.36180949e+00 1.94605732e+01 24 -1.12724586e+00 9.79497449e-02 3.21116547e+00 25 -1.61647717e+01 -3.88890329e+01 -2.08987165e+01 26 -1.16464009e+01 5.24541485e+01 -3.82542165e+01 27 1.74238705e+01 -8.54260702e+01 4.13980065e+01 28 -7.02489759e+01 6.71648180e+01 2.32621932e+01 29 -2.42144650e+01 -1.62282081e+01 2.92748883e+01 30 1.07764286e+01 2.93194270e+01 -3.91167483e+00 31 4.39325760e+01 -3.11478076e+01 3.73315870e+01 32 2.87287676e+01 3.75911023e+01 3.67768944e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 234.722534798 Forces: 1 3.75895580e+01 -5.78080832e+01 -2.30999312e+00 2 -6.28214197e+01 2.25751091e+01 4.04870374e+01 3 5.66769723e+01 -1.13617539e+01 -1.17151596e+01 4 -1.85012597e+00 3.90737673e+01 6.51708245e+00 5 2.55349435e+01 -2.29893037e+01 2.46416693e+00 6 -4.99304072e+01 8.01146882e+01 7.13610281e+01 7 1.73821337e+01 -7.49018072e+01 -7.06048214e+01 8 -3.35708525e+01 -2.88501892e+01 -2.93359318e+01 9 -6.76180396e+01 -3.97843760e+01 1.66755525e+01 10 -5.02403628e+01 3.36923666e+01 -3.25034108e+01 11 -1.91001248e+01 -5.12905565e+01 4.98732754e+01 12 7.76799239e+00 -7.89012640e+00 3.33976582e+01 13 -9.06574583e+00 -4.37028942e+01 -1.00510983e+02 14 -2.57672585e+01 1.98655659e+01 -4.07139248e+01 15 1.01092817e+02 -6.16075980e+00 2.12292358e+01 16 2.41873477e+01 8.05079655e+01 4.60547968e+01 17 1.17536112e+01 -1.84128783e+01 9.78460051e+00 18 -9.30135638e+00 1.57583410e+01 2.86602371e+01 19 2.27527676e+01 3.47593939e+01 2.97146380e+01 20 1.02070143e+02 8.26213528e+01 -3.22644333e+01 21 -3.32288751e+01 -1.15569891e+01 3.52769936e+01 22 -7.21252948e-01 9.45647375e+01 3.93793899e+01 23 -8.62465065e+01 -9.45229515e+01 -6.38074125e+01 24 3.57292812e+01 1.08883866e+01 -4.51516066e+01 25 -6.65411207e+00 -4.38472225e+01 -2.07570978e+01 26 -6.33793910e+00 2.70786285e+01 -5.49281495e+01 27 5.45947197e+01 -8.37845716e+01 -1.44706252e+01 28 -7.93292184e+01 5.47051166e+01 1.43430687e+01 29 -2.39280344e+01 -1.60511145e+01 2.92236281e+01 30 -1.35305734e+01 1.34294787e+01 -5.75066958e+00 31 4.20996709e+01 -3.14931206e+01 3.60755484e+01 32 4.00102466e+01 3.47737999e+01 1.43062807e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18858== Memcheck, a memory error detector ==18858== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==18858== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==18858== Command: python runner2.py EAM_Dynamo_Mendelev_Han_Fe_5__MO_942420706858_004 ==18858== ==18858== ==18858== HEAP SUMMARY: ==18858== in use at exit: 4,107,066 bytes in 5,847 blocks ==18858== total heap usage: 45,623 allocs, 39,776 frees, 51,914,881 bytes allocated ==18858== ==18858== LEAK SUMMARY: ==18858== definitely lost: 0 bytes in 0 blocks ==18858== indirectly lost: 0 bytes in 0 blocks ==18858== possibly lost: 172,767 bytes in 105 blocks ==18858== still reachable: 3,934,299 bytes in 5,742 blocks ==18858== suppressed: 0 bytes in 0 blocks ==18858== Rerun with --leak-check=full to see details of leaked memory ==18858== ==18858== For counts of detected and suppressed errors, rerun with: -v ==18858== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2379 from 124) ================================================================================ 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. === Verification check vc-memory-leak end (2018-05-10 19:20:09) ===