!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WangZhuXiang_2018pot2_Pb__MO_961101070310_000 Supported species : Pb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 380.5153965178996 Forces: 1 -1.35113528e+01 -1.28714086e+01 -1.56311128e+01 2 -2.09369602e+00 -3.39565645e+00 -2.54206031e+01 3 2.04104836e+00 -2.37808944e+01 -2.83537290e+00 4 -2.59283112e+01 8.81693457e-01 -1.39391359e+00 5 2.11437893e+00 -2.17086911e+01 -1.32332087e+01 6 1.59313884e+01 -4.47279503e+00 -1.98963112e+01 7 1.88559337e+01 -2.96714283e+01 -7.18954294e+00 8 5.32476772e-01 -1.60888233e+01 -1.10176544e+01 9 -1.73625798e+01 1.30802518e+00 -2.46918923e+01 10 -4.90042314e+00 2.58687052e+01 -2.89678560e+01 11 -1.56364185e+01 -9.88668285e+00 -7.71549757e+00 12 -2.45401145e+01 1.99431267e+01 -3.84293490e+00 13 7.83435192e+00 -5.64054416e-01 -4.19703698e+01 14 1.43024018e+01 1.48786763e+01 -1.34821487e+01 15 3.92385077e+01 1.16370131e+01 -8.57210468e+00 16 8.28212700e+00 4.09887106e+01 -1.11708510e+00 17 -2.22092762e+01 -1.51214264e+01 1.56603737e+00 18 -5.44813058e+00 -8.30323706e+00 4.95722661e+00 19 2.99652583e+00 -2.03373211e+01 1.70274787e+01 20 -1.71961577e+01 3.56228427e+00 1.70433683e+01 21 -2.48859882e+00 -2.75425207e+01 8.59010596e+00 22 3.73715861e+01 -4.29060689e+00 1.26007155e+01 23 1.12170655e+01 -8.53306310e+00 1.29998155e+01 24 1.61069200e+00 -6.39488366e+00 2.61817670e+01 25 -3.31269310e+01 1.12367858e+00 4.89512798e+00 26 -4.03963456e+00 3.59882789e+01 7.86340664e+00 27 -5.91231513e+00 -4.97989701e+00 2.86684039e+01 28 -1.91086733e+01 1.52066098e+01 1.38967563e+01 29 1.86409249e+00 9.50115588e-01 1.89689913e+01 30 2.00906380e+01 2.29102622e+01 4.95441792e+00 31 2.16635761e+01 2.46718726e+00 2.37174279e+01 32 7.55582244e+00 2.02290231e+01 2.30465618e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 380.5153965178996 Forces: 1 -1.35113528e+01 -1.28714086e+01 -1.56311128e+01 2 -2.09369602e+00 -3.39565645e+00 -2.54206031e+01 3 2.04104836e+00 -2.37808944e+01 -2.83537290e+00 4 -2.59283112e+01 8.81693457e-01 -1.39391359e+00 5 2.11437893e+00 -2.17086911e+01 -1.32332087e+01 6 1.59313884e+01 -4.47279503e+00 -1.98963112e+01 7 1.88559337e+01 -2.96714283e+01 -7.18954294e+00 8 5.32476772e-01 -1.60888233e+01 -1.10176544e+01 9 -1.73625798e+01 1.30802518e+00 -2.46918923e+01 10 -4.90042314e+00 2.58687052e+01 -2.89678560e+01 11 -1.56364185e+01 -9.88668285e+00 -7.71549757e+00 12 -2.45401145e+01 1.99431267e+01 -3.84293490e+00 13 7.83435192e+00 -5.64054416e-01 -4.19703698e+01 14 1.43024018e+01 1.48786763e+01 -1.34821487e+01 15 3.92385077e+01 1.16370131e+01 -8.57210468e+00 16 8.28212700e+00 4.09887106e+01 -1.11708510e+00 17 -2.22092762e+01 -1.51214264e+01 1.56603737e+00 18 -5.44813058e+00 -8.30323706e+00 4.95722661e+00 19 2.99652583e+00 -2.03373211e+01 1.70274787e+01 20 -1.71961577e+01 3.56228427e+00 1.70433683e+01 21 -2.48859882e+00 -2.75425207e+01 8.59010596e+00 22 3.73715861e+01 -4.29060689e+00 1.26007155e+01 23 1.12170655e+01 -8.53306310e+00 1.29998155e+01 24 1.61069200e+00 -6.39488366e+00 2.61817670e+01 25 -3.31269310e+01 1.12367858e+00 4.89512798e+00 26 -4.03963456e+00 3.59882789e+01 7.86340664e+00 27 -5.91231513e+00 -4.97989701e+00 2.86684039e+01 28 -1.91086733e+01 1.52066098e+01 1.38967563e+01 29 1.86409249e+00 9.50115588e-01 1.89689913e+01 30 2.00906380e+01 2.29102622e+01 4.95441792e+00 31 2.16635761e+01 2.46718726e+00 2.37174279e+01 32 7.55582244e+00 2.02290231e+01 2.30465618e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==30895== Memcheck, a memory error detector ==30895== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==30895== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==30895== Command: python runner2.py EAM_Dynamo_WangZhuXiang_2018pot2_Pb__MO_961101070310_000 ==30895== ==31294== Warning: invalid file descriptor 4096 in syscall close() ==31294== Warning: invalid file descriptor 4097 in syscall close() ==31294== Warning: invalid file descriptor 4098 in syscall close() ==31294== Warning: invalid file descriptor 4099 in syscall close() ==31294== Use --log-fd= to select an alternative log fd. ==31294== Warning: invalid file descriptor 4100 in syscall close() ==31294== Warning: invalid file descriptor 4101 in syscall close() ==30895== ==30895== HEAP SUMMARY: ==30895== in use at exit: 2,202,999 bytes in 1,640 blocks ==30895== total heap usage: 45,943 allocs, 44,303 frees, 70,656,894 bytes allocated ==30895== ==30895== LEAK SUMMARY: ==30895== definitely lost: 0 bytes in 0 blocks ==30895== indirectly lost: 0 bytes in 0 blocks ==30895== possibly lost: 198,622 bytes in 101 blocks ==30895== still reachable: 2,004,345 bytes in 1,538 blocks ==30895== suppressed: 32 bytes in 1 blocks ==30895== Rerun with --leak-check=full to see details of leaked memory ==30895== ==30895== For lists of detected and suppressed errors, rerun with: -s ==30895== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 8895 from 551) ================================================================================ 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.