!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Sturgeon_Laird_Al__MO_120808805541_004 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 = 89.9677914602 Forces: 1 -5.49380126e+00 -1.14118655e+01 -1.20297443e+01 2 -7.48033403e+00 9.85651341e+00 -9.64411183e+00 3 5.84419875e+00 -1.25497132e+01 -5.62731745e+00 4 -7.93802359e+00 7.25504620e+00 5.47469957e+00 5 4.05860278e+00 -1.84031605e+01 -5.66121173e+00 6 8.89979074e+00 2.95133880e+00 -1.00176074e+01 7 8.13996078e+00 -3.17652877e+01 -2.83775854e+01 8 -1.45103693e+01 -1.15979331e+01 6.81285688e+00 9 -9.39617141e+00 -9.63783045e+00 -1.80518036e+01 10 -4.77645155e+00 1.89355632e+01 -2.10604197e+01 11 8.38709986e-01 -1.51200976e+01 4.99959619e-01 12 -1.27229077e+01 2.07943764e+01 5.66400699e-01 13 -1.14188313e+01 -1.04502117e+01 -4.61952671e+01 14 9.56003314e+00 1.22133262e+01 -8.36365255e+00 15 3.90654650e+01 -8.49455008e+00 1.25932972e+01 16 5.58047920e+00 3.12741443e+01 1.56360599e+01 17 -1.82351623e+01 -9.60169261e+00 -5.57195924e+00 18 5.65574907e+00 1.36811430e+01 -7.66111853e-01 19 9.28083656e+00 -1.38404987e+01 1.16800793e+01 20 -8.22416699e+00 1.03482736e+01 9.72512070e+00 21 -1.54598583e+01 -9.73813816e+00 8.66176572e+00 22 2.03971635e+01 2.80840572e+01 2.40538564e+01 23 4.98674168e+00 -1.92902036e+00 8.40144537e+00 24 6.66538065e+00 -6.17601963e+00 6.95697395e+00 25 -1.49804400e+01 -9.25256380e+00 1.74732510e+01 26 -6.96523672e+00 2.08550848e+01 -1.10976767e+01 27 9.52955581e+00 -3.26054320e+01 1.04722015e+01 28 -3.22609221e+01 2.68256028e+01 5.22053576e+00 29 -8.05566106e+00 -1.51819550e+01 3.13090413e+00 30 1.04079757e+01 1.68790169e+01 4.13898294e+00 31 1.90034308e+01 -1.01145354e+01 1.34088698e+01 32 1.00042633e+01 1.79170187e+01 1.75572083e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 157.90213586 Forces: 1 1.89456421e+01 -1.70327506e+01 5.43405337e+00 2 -3.55309957e+01 -7.33241042e+00 4.11242327e+01 3 3.76517086e+00 2.03860652e+00 -4.21605934e+00 4 1.41474725e+01 1.14499718e+01 -1.94353407e+00 5 9.37042343e+00 -3.17829288e+00 -3.85069916e+00 6 -2.13305016e+01 2.19621513e+01 1.08370041e+00 7 -3.03788109e+00 -2.86204368e+01 -2.84627712e+01 8 -1.28785202e+01 -1.26776157e+01 5.34366100e+00 9 -1.85062116e+01 -2.25651361e+01 1.95634401e+01 10 -1.24724202e+01 7.68647906e+00 -9.31932001e+00 11 -7.99626001e-01 -1.31195219e+01 -1.44967025e+00 12 6.23683286e+00 9.44735077e+00 5.29071787e+00 13 -9.43168094e+00 -9.80999504e+00 -3.69547633e+01 14 -1.03631567e+01 4.64759838e+00 -1.12715682e+01 15 3.13238016e+01 -6.65174639e+00 1.13299611e+01 16 7.31098440e+00 2.29770644e+01 1.53043226e+01 17 1.12437215e+01 -1.74192128e+01 -4.99763171e+00 18 4.19353342e+00 1.14494829e+01 3.03581475e-01 19 7.66719928e+00 2.75754053e+00 9.40046834e+00 20 1.26992425e+01 2.36150608e+01 -7.62022728e+00 21 -1.39143533e+01 -5.32433480e-01 9.27157841e+00 22 -6.24505048e+00 3.93866503e+01 2.83639258e+01 23 -1.75758355e+01 -1.74889189e+01 -5.37978742e+00 24 3.51490245e+01 1.17188454e+01 -4.11563376e+01 25 -7.02703281e+00 -1.06577076e+01 1.66768369e+01 26 -5.94921791e+00 5.18032555e+00 -1.21952963e+01 27 2.37834199e+01 -3.11365570e+01 -1.50839819e+01 28 -3.02249821e+01 2.79135402e+01 -1.02248133e+01 29 -6.86694834e+00 -1.32866352e+01 4.15851437e+00 30 -1.18092785e+00 6.54352287e+00 7.27307803e+00 31 1.47417188e+01 -9.94084511e+00 9.05261790e+00 32 1.27571551e+01 1.26760250e+01 5.15177058e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==32073== Memcheck, a memory error detector ==32073== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==32073== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==32073== Command: python runner2.py EAM_Dynamo_Sturgeon_Laird_Al__MO_120808805541_004 ==32073== ==32073== ==32073== HEAP SUMMARY: ==32073== in use at exit: 4,105,603 bytes in 5,844 blocks ==32073== total heap usage: 50,141 allocs, 44,297 frees, 52,263,821 bytes allocated ==32073== ==32073== LEAK SUMMARY: ==32073== definitely lost: 0 bytes in 0 blocks ==32073== indirectly lost: 0 bytes in 0 blocks ==32073== possibly lost: 172,767 bytes in 105 blocks ==32073== still reachable: 3,932,836 bytes in 5,739 blocks ==32073== suppressed: 0 bytes in 0 blocks ==32073== Rerun with --leak-check=full to see details of leaked memory ==32073== ==32073== For counts of detected and suppressed errors, rerun with: -v ==32073== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2375 from 123) ================================================================================ 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.