!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 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 = -65.4406215673662 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 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = -65.4406215673662 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 ================================================================================ ==208660== Memcheck, a memory error detector ==208660== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==208660== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==208660== Command: python runner2.py EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 ==208660== ==209761== Warning: invalid file descriptor 1024 in syscall close() ==209761== Warning: invalid file descriptor 1025 in syscall close() ==209761== Warning: invalid file descriptor 1026 in syscall close() ==209761== Warning: invalid file descriptor 1027 in syscall close() ==209761== Use --log-fd= to select an alternative log fd. ==209761== Warning: invalid file descriptor 1028 in syscall close() ==209761== Warning: invalid file descriptor 1029 in syscall close() ==208660== ==208660== HEAP SUMMARY: ==208660== in use at exit: 2,257,591 bytes in 1,701 blocks ==208660== total heap usage: 49,567 allocs, 47,866 frees, 69,317,403 bytes allocated ==208660== ==208660== LEAK SUMMARY: ==208660== definitely lost: 0 bytes in 0 blocks ==208660== indirectly lost: 0 bytes in 0 blocks ==208660== possibly lost: 180,827 bytes in 103 blocks ==208660== still reachable: 2,076,732 bytes in 1,597 blocks ==208660== of which reachable via heuristic: ==208660== stdstring : 38 bytes in 1 blocks ==208660== suppressed: 32 bytes in 1 blocks ==208660== Rerun with --leak-check=full to see details of leaked memory ==208660== ==208660== For lists of detected and suppressed errors, rerun with: -s ==208660== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7946 from 582) ================================================================================ 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.