!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Olsson_2009_W__MO_670013535154_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 = 288.707777354062 Forces: 1 -1.58243375e+01 -2.83864768e+01 -3.06040772e+01 2 -1.24805946e+01 1.97355590e+01 -2.74060037e+01 3 1.90588119e+01 -5.14221407e+01 -2.10541025e+01 4 -3.66258633e+01 1.88920641e+01 1.91629543e+00 5 -2.86382196e+00 -4.61489859e+01 -1.43654588e+01 6 2.88781629e+01 1.75886225e+01 -3.11667054e+01 7 2.58376427e+01 -8.67115624e+01 -6.45915867e+01 8 -4.25519829e+01 -2.94746421e+01 -3.94902745e+00 9 -2.95216463e+01 -2.19461079e+01 -5.08710992e+01 10 -1.39090532e+01 5.54317713e+01 -6.00654309e+01 11 -1.09384111e+01 -3.92992371e+01 8.23519703e+00 12 -3.54948900e+01 4.90522411e+01 7.00545868e+00 13 -2.02587115e+01 -4.23383155e+01 -1.23237744e+02 14 2.75147200e+01 3.27271134e+01 -2.23844323e+01 15 1.13656399e+02 -1.27229230e+01 2.91619806e+01 16 1.50305784e+01 9.31413659e+01 4.18720557e+01 17 -5.44385165e+01 -3.49664105e+01 -7.17317501e+00 18 3.22598912e+01 4.30759139e+01 2.51921406e+01 19 1.33210634e+01 -4.09877973e+01 2.37512730e+01 20 -2.15756343e+01 2.46650412e+01 2.60453205e+01 21 -3.51179546e+01 -3.68392030e+01 2.38879950e+01 22 6.41934642e+01 6.88344166e+01 4.95138544e+01 23 1.60526579e+01 -9.18905485e+00 3.36489732e+01 24 6.99325663e+00 1.85670449e+01 1.69557372e+01 25 -4.13567888e+01 -1.77466157e+01 2.66672527e+01 26 -1.72276404e+01 6.12795838e+01 -2.73797928e+01 27 3.22365667e+01 -9.49336559e+01 3.65070829e+01 28 -8.19943247e+01 6.86560080e+01 1.78414784e+01 29 -2.32912525e+01 -3.60162380e+01 2.56638739e+01 30 3.05724792e+01 4.55738227e+01 -4.62188394e+00 31 4.47211742e+01 -3.41508437e+01 4.44694027e+01 32 2.51445561e+01 4.60596421e+01 5.05351474e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 288.707777354062 Forces: 1 -1.58243375e+01 -2.83864768e+01 -3.06040772e+01 2 -1.24805946e+01 1.97355590e+01 -2.74060037e+01 3 1.90588119e+01 -5.14221407e+01 -2.10541025e+01 4 -3.66258633e+01 1.88920641e+01 1.91629543e+00 5 -2.86382196e+00 -4.61489859e+01 -1.43654588e+01 6 2.88781629e+01 1.75886225e+01 -3.11667054e+01 7 2.58376427e+01 -8.67115624e+01 -6.45915867e+01 8 -4.25519829e+01 -2.94746421e+01 -3.94902745e+00 9 -2.95216463e+01 -2.19461079e+01 -5.08710992e+01 10 -1.39090532e+01 5.54317713e+01 -6.00654309e+01 11 -1.09384111e+01 -3.92992371e+01 8.23519703e+00 12 -3.54948900e+01 4.90522411e+01 7.00545868e+00 13 -2.02587115e+01 -4.23383155e+01 -1.23237744e+02 14 2.75147200e+01 3.27271134e+01 -2.23844323e+01 15 1.13656399e+02 -1.27229230e+01 2.91619806e+01 16 1.50305784e+01 9.31413659e+01 4.18720557e+01 17 -5.44385165e+01 -3.49664105e+01 -7.17317501e+00 18 3.22598912e+01 4.30759139e+01 2.51921406e+01 19 1.33210634e+01 -4.09877973e+01 2.37512730e+01 20 -2.15756343e+01 2.46650412e+01 2.60453205e+01 21 -3.51179546e+01 -3.68392030e+01 2.38879950e+01 22 6.41934642e+01 6.88344166e+01 4.95138544e+01 23 1.60526579e+01 -9.18905485e+00 3.36489732e+01 24 6.99325663e+00 1.85670449e+01 1.69557372e+01 25 -4.13567888e+01 -1.77466157e+01 2.66672527e+01 26 -1.72276404e+01 6.12795838e+01 -2.73797928e+01 27 3.22365667e+01 -9.49336559e+01 3.65070829e+01 28 -8.19943247e+01 6.86560080e+01 1.78414784e+01 29 -2.32912525e+01 -3.60162380e+01 2.56638739e+01 30 3.05724792e+01 4.55738227e+01 -4.62188394e+00 31 4.47211742e+01 -3.41508437e+01 4.44694027e+01 32 2.51445561e+01 4.60596421e+01 5.05351474e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==13663== Memcheck, a memory error detector ==13663== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==13663== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==13663== Command: python runner2.py EAM_Dynamo_Olsson_2009_W__MO_670013535154_000 ==13663== ==13707== Warning: invalid file descriptor 4096 in syscall close() ==13707== Warning: invalid file descriptor 4097 in syscall close() ==13707== Warning: invalid file descriptor 4098 in syscall close() ==13707== Warning: invalid file descriptor 4099 in syscall close() ==13707== Use --log-fd= to select an alternative log fd. ==13707== Warning: invalid file descriptor 4100 in syscall close() ==13707== Warning: invalid file descriptor 4101 in syscall close() ==13663== ==13663== HEAP SUMMARY: ==13663== in use at exit: 2,202,999 bytes in 1,640 blocks ==13663== total heap usage: 45,939 allocs, 44,299 frees, 69,534,338 bytes allocated ==13663== ==13663== LEAK SUMMARY: ==13663== definitely lost: 0 bytes in 0 blocks ==13663== indirectly lost: 0 bytes in 0 blocks ==13663== possibly lost: 198,622 bytes in 101 blocks ==13663== still reachable: 2,004,345 bytes in 1,538 blocks ==13663== suppressed: 32 bytes in 1 blocks ==13663== Rerun with --leak-check=full to see details of leaked memory ==13663== ==13663== For lists of detected and suppressed errors, rerun with: -s ==13663== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 9003 from 559) ================================================================================ 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.