!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_QuinticClampedSpline_Ercolessi_Adams_Al__MO_450093727396_001 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = -65.4406215674 Forces: 1 -1.02346924e+00 -1.38051120e+00 -2.10957605e+00 2 -1.24640386e+00 2.60751958e+00 -1.31900360e+00 3 1.97429294e+00 -1.31978759e+00 2.08885030e+00 4 -6.14319488e-01 2.24173901e+00 1.69180292e+00 5 1.28079862e+00 -2.14456659e+00 1.45275908e-01 6 6.09360662e-01 1.55974040e+00 -1.32231196e+00 7 1.40174693e+00 -6.28968284e+00 -4.90300857e+00 8 -4.03834137e+00 -2.40718612e+00 -6.69241395e-01 9 -2.16990487e+00 -1.99120537e+00 -3.11441375e+00 10 -1.04898040e+00 3.74288788e+00 -4.03697039e+00 11 -1.09108189e+00 -3.40569703e+00 4.52669650e+00 12 -7.50181786e-01 1.60187219e+00 1.59710083e+00 13 -1.18238641e+00 -3.19808985e+00 -7.85099478e+00 14 5.79652034e-01 1.12160046e+00 -2.53538425e-01 15 7.04791611e+00 -1.22392778e+00 1.78060299e+00 16 1.78752668e+00 5.49472953e+00 3.11797019e+00 17 -1.51555316e+00 -9.33850873e-01 -1.88373245e+00 18 4.11037087e-01 2.84589838e+00 -3.59455507e+00 19 1.81292196e+00 -2.80662517e+00 2.31674349e+00 20 -1.02312697e+00 1.99371926e+00 1.33424422e+00 21 -3.48370078e+00 -1.08704329e+00 1.04936915e+00 22 2.67842301e+00 5.08827810e+00 4.77543496e+00 23 4.53820220e-01 3.68374364e-01 7.78035004e-01 24 8.54589319e-01 -5.47761071e-01 1.17974608e+00 25 -1.92290253e+00 -2.78580857e+00 -2.07228703e+00 26 -1.31633124e+00 3.54757008e+00 -2.68216953e+00 27 2.76819122e+00 -6.73170603e+00 2.85300034e+00 28 -4.66423145e+00 4.87504964e+00 1.22667492e+00 29 -1.90944984e+00 -1.65665723e+00 1.10095708e+00 30 5.10668175e-01 2.03695422e+00 3.64016172e-01 31 3.11621170e+00 -1.80349794e+00 1.70393969e+00 32 1.71320860e+00 2.58767145e+00 2.18134227e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2875== Memcheck, a memory error detector ==2875== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==2875== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==2875== Command: python runner2.py EAM_QuinticClampedSpline_Ercolessi_Adams_Al__MO_450093727396_001 ==2875== * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion ==2875== ==2875== HEAP SUMMARY: ==2875== in use at exit: 4,127,654 bytes in 5,844 blocks ==2875== total heap usage: 59,894 allocs, 54,050 frees, 56,898,807 bytes allocated ==2875== ==2875== LEAK SUMMARY: ==2875== definitely lost: 23,904 bytes in 3 blocks ==2875== indirectly lost: 0 bytes in 0 blocks ==2875== possibly lost: 172,767 bytes in 105 blocks ==2875== still reachable: 3,930,983 bytes in 5,736 blocks ==2875== suppressed: 0 bytes in 0 blocks ==2875== Rerun with --leak-check=full to see details of leaked memory ==2875== ==2875== For counts of detected and suppressed errors, rerun with: -v ==2875== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2391 from 122) ================================================================================ 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" (Search for the word "lost" in the file to identify memory leaks.) Grade: F Comment: Memory leak detected.