!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Zhou_Johnson_Mg__MO_137404467969_004 Supported species : Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 424.382019774 Forces: 1 -1.32137522e+01 -2.38851908e+01 -2.47721982e+01 2 -2.24372323e+01 3.52747012e+01 -3.12711024e+01 3 -2.85598138e+00 -3.35757312e+01 -3.43718951e+00 4 -1.95256981e+01 1.13744044e+01 1.15849798e+01 5 3.29366806e+01 -5.22416514e+01 -1.16302235e+01 6 1.33737243e+01 2.74985420e+00 -2.07449226e+01 7 1.85036317e+01 -7.28329369e+01 -6.44937308e+01 8 -2.14860441e+01 -2.43337185e+01 -1.16599514e+01 9 -2.64768608e+01 -3.78767527e+01 -6.41147883e+01 10 -2.95324160e+00 5.39863915e+01 -5.49188822e+01 11 -8.93158846e+00 -3.69431740e+01 2.29518325e+01 12 -4.01453841e+01 5.34677966e+01 2.91207000e+01 13 -1.18602934e+01 -2.83640564e+01 -1.04232817e+02 14 2.28598023e+01 2.77940102e+01 -1.93436342e+01 15 9.32720611e+01 -1.11729295e+01 2.34475944e+01 16 1.16644819e+01 7.51060588e+01 3.38497168e+01 17 -3.19378201e+01 -1.59536338e+01 -1.13704398e+01 18 -1.56032648e+01 2.06805060e+01 1.51206730e+01 19 1.37721081e+01 -2.74764883e+01 2.14707921e+01 20 -1.53439211e+01 1.95515385e+01 1.81537464e+01 21 -2.37734515e+01 -3.36665050e+01 2.09864862e+01 22 5.16141358e+01 5.41374647e+01 5.07337110e+01 23 1.29103459e+01 -6.55055423e+00 2.06050643e+01 24 6.55058635e+00 1.64311835e+00 1.93057709e+01 25 -2.90095220e+01 -8.70025403e+00 2.03428165e+01 26 -1.83803544e+01 4.86621186e+01 -2.25015410e+01 27 2.31355764e+01 -7.56175008e+01 2.78201748e+01 28 -6.75532122e+01 5.54377485e+01 1.24511276e+01 29 -1.66720856e+01 -2.36054408e+01 1.75572433e+01 30 2.52707273e+01 3.73634695e+01 2.95892941e+00 31 4.05208987e+01 -2.28996217e+01 3.46795678e+01 32 2.17749478e+01 3.84669589e+01 4.13504939e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 735.232279423 Forces: 1 4.62807665e+01 -3.07762825e+01 1.12146268e+01 2 -7.68834648e+01 2.62323056e+01 5.97758331e+01 3 -7.74197723e+00 1.69666996e+00 1.85445204e+00 4 3.42062484e+01 2.52620424e+01 -2.29499395e+00 5 5.44514359e+01 -5.51480137e+00 -7.26093513e-01 6 -5.72870510e+01 5.88644865e+01 1.80500842e+01 7 -1.01295629e+01 -6.57184059e+01 -6.38636990e+01 8 -2.29820167e+01 -2.43546205e+01 -1.11859333e+01 9 -4.58454681e+01 -7.14365689e+01 1.54916075e+01 10 -2.41105697e+01 1.19294119e+01 -2.77412327e+01 11 -9.08682791e+00 -3.73884560e+01 2.46430182e+01 12 2.56999008e+01 2.21587380e+01 6.75600998e+01 13 -9.36983682e+00 -3.31135270e+01 -8.19856638e+01 14 -5.48966407e+01 1.78545211e+01 -4.01608307e+01 15 7.15569872e+01 -1.05660675e+01 2.39389025e+01 16 1.72685663e+01 5.12226011e+01 3.66981339e+01 17 3.28892591e+01 -3.35088245e+01 -1.48462798e+01 18 -1.54342830e+01 2.09383420e+01 1.49820901e+01 19 1.38820748e+01 1.12050636e+01 1.22419448e+01 20 4.05713761e+01 6.24750161e+01 -2.03232781e+01 21 -2.55787154e+01 -7.86841513e+00 2.22529126e+01 22 -8.78640789e+00 8.43612978e+01 6.15963528e+01 23 -4.92313279e+01 -5.61498765e+01 -2.17175258e+01 24 6.43264671e+01 1.97777782e+01 -7.16197139e+01 25 -6.79765672e+00 -1.58595090e+01 2.00615570e+01 26 -1.46075204e+01 1.04763389e+01 -2.89435936e+01 27 5.34493257e+01 -7.89968826e+01 -3.45557373e+01 28 -6.62627083e+01 5.71600845e+01 -2.48833649e+01 29 -1.65480816e+01 -2.38577723e+01 1.77933354e+01 30 4.78111986e+00 1.21579781e+01 3.41486156e+00 31 3.02112997e+01 -2.63116828e+01 2.27843397e+01 32 3.20052894e+01 2.76490171e+01 1.04937883e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==29836== Memcheck, a memory error detector ==29836== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==29836== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==29836== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Mg__MO_137404467969_004 ==29836== ==29836== ==29836== HEAP SUMMARY: ==29836== in use at exit: 4,108,715 bytes in 5,850 blocks ==29836== total heap usage: 53,407 allocs, 47,557 frees, 50,589,050 bytes allocated ==29836== ==29836== LEAK SUMMARY: ==29836== definitely lost: 0 bytes in 0 blocks ==29836== indirectly lost: 0 bytes in 0 blocks ==29836== possibly lost: 172,767 bytes in 105 blocks ==29836== still reachable: 3,935,948 bytes in 5,745 blocks ==29836== suppressed: 0 bytes in 0 blocks ==29836== Rerun with --leak-check=full to see details of leaked memory ==29836== ==29836== For counts of detected and suppressed errors, rerun with: -v ==29836== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2394 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.