!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Three_Body_Stillinger_Weber_Balamane_Si__MO_113686039439_002 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 643.510627287 Forces: 1 -4.46033602e+01 -3.65569009e+01 -5.50139332e+01 2 -3.00437224e+01 1.61069974e+01 -7.26408458e+01 3 2.33654173e+00 -8.23789208e+01 -1.56467719e+00 4 -6.67835858e+01 2.40443375e+01 1.25875513e+01 5 3.66382556e+01 -7.02605231e+01 -4.70560036e+01 6 4.37023268e+01 -5.32828599e-01 -4.61266841e+01 7 3.32258148e+01 -5.64387072e+01 -7.26219378e+00 8 1.44104944e+01 -5.25515223e+01 -8.62143934e+00 9 -4.48497545e+01 -1.29257256e+01 -6.25743673e+01 10 -1.60689239e+01 5.06844149e+01 -6.65264822e+01 11 -4.00074950e+01 -2.36098263e+00 -1.45549264e+01 12 -5.54014997e+01 4.73398122e+01 9.68113753e+00 13 1.54663979e+01 4.74644996e+00 -9.60401744e+01 14 2.40387327e+01 1.86898358e+01 -2.49575656e+01 15 9.43724326e+01 2.02725520e+01 -1.14260585e+01 16 3.01010659e+01 9.07577618e+01 -1.05521086e+00 17 -5.93072921e+01 -3.73019308e+01 -6.73554137e+00 18 1.71110077e+00 7.74226534e-02 7.55932825e+00 19 3.85720554e+01 -7.18229993e+01 4.88948218e+01 20 -6.44444415e+01 3.64036715e+01 4.42643385e+01 21 9.30273962e+00 -5.11595479e+01 1.75832130e+01 22 5.54977376e+01 -2.30851318e+00 2.62185769e+01 23 1.03432562e+01 -7.60445351e+00 1.92948043e+01 24 1.80622494e+01 -1.15386798e+01 5.33798295e+01 25 -1.08417030e+02 -3.44910369e+01 7.91457521e+00 26 3.00176837e+01 9.96411209e+01 1.23905970e+01 27 -1.08669770e+01 -2.05050607e+01 5.92272616e+01 28 -4.85719222e+01 3.60147073e+01 3.32759354e+01 29 1.46881531e+01 1.62897487e+01 6.06655573e+01 30 4.76346482e+01 5.05953150e+01 1.28865361e+01 31 4.97234966e+01 -5.75645499e+00 4.89520771e+01 32 1.95208215e+01 4.48306407e+01 4.73799630e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1684.10630248 Forces: 1 -7.26737726e+00 -4.81931238e+00 -1.75844251e+01 2 -1.06439515e+01 3.24996826e+01 -7.74339645e+00 3 6.43238132e+01 3.22638393e+00 2.21775878e+01 4 3.81079010e+00 6.71521708e+01 4.22613134e+01 5 3.06692634e+01 -3.14413779e+01 -2.52637742e+00 6 -2.87889550e+01 5.19646420e+01 -3.60612509e+01 7 -4.23933078e+01 -2.21574964e+00 1.79333272e+01 8 -2.23406434e+00 -4.54501218e+01 7.15669408e+00 9 -2.51781359e+01 -4.96249114e+01 -2.72176689e+01 10 2.23205184e+01 -9.13055569e+00 -1.66674816e+01 11 -3.17199718e+01 -1.65241193e+01 2.00858860e+01 12 -5.38329293e+00 -2.58982124e+01 3.16587538e+01 13 9.30512655e+00 -3.23304159e+00 -4.68162027e+01 14 -3.34187642e+01 -3.77707223e+01 -2.76715223e+01 15 3.37569205e+01 -4.05020787e+00 5.22526901e+00 16 2.11616516e+01 3.75185381e+01 1.65493373e+01 17 7.46206826e+00 8.44077723e+00 -7.89280536e+00 18 2.82168191e+01 2.73316834e+01 -4.41583232e+00 19 8.33635018e+01 -1.38205867e+00 -1.52786294e+00 20 -4.52367465e+01 9.37986391e+01 -2.72770820e+01 21 -5.81591111e+00 1.67149680e+01 1.42810102e+01 22 -5.19721504e+01 5.65229942e+01 3.60483182e+01 23 -5.28502271e+01 1.49081913e+01 -2.67586701e+01 24 1.89481320e+01 -2.99105270e+00 -1.87827973e+01 25 -6.81958422e+01 -8.51251215e+01 8.20758944e+00 26 6.22486064e+01 2.31521589e+01 8.21135993e+00 27 -3.87838733e+00 -3.84824987e+01 -1.72554928e+01 28 -2.10710068e+01 -3.40064738e+01 -1.94501496e+01 29 1.43078357e+01 -5.03256153e-01 5.47397558e+01 30 -8.81546902e+00 -1.58508280e+01 1.17849274e+01 31 1.53337449e+01 -3.45187689e+01 1.39972892e+01 32 2.96347694e+01 9.78756127e+00 -4.66940090e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==26168== Memcheck, a memory error detector ==26168== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==26168== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==26168== Command: python runner2.py Three_Body_Stillinger_Weber_Balamane_Si__MO_113686039439_002 ==26168== ==26168== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==26168== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==26168== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==26168== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==26168== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==26168== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==26168== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==26168== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==26168== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==26168== ==26168== HEAP SUMMARY: ==26168== in use at exit: 4,038,957 bytes in 5,781 blocks ==26168== total heap usage: 84,681 allocs, 78,900 frees, 46,060,486 bytes allocated ==26168== ==26168== LEAK SUMMARY: ==26168== definitely lost: 0 bytes in 0 blocks ==26168== indirectly lost: 0 bytes in 0 blocks ==26168== possibly lost: 162,278 bytes in 95 blocks ==26168== still reachable: 3,876,679 bytes in 5,686 blocks ==26168== suppressed: 0 bytes in 0 blocks ==26168== Rerun with --leak-check=full to see details of leaked memory ==26168== ==26168== For counts of detected and suppressed errors, rerun with: -v ==26168== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2381 from 154) ================================================================================ 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.