!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ackland_Tichy_Au__MO_104891429740_004 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 219.898354287 Forces: 1 -1.07573253e+01 -1.77480638e+01 -1.71601652e+01 2 -5.59639622e+00 6.57552383e+00 -2.07934994e+01 3 8.02326046e+00 -2.16385151e+01 -5.19758619e+00 4 -1.82572085e+01 9.26499785e+00 6.19401700e+00 5 1.24294405e+00 -2.56816488e+01 -1.35802043e+01 6 1.67784519e+01 2.35358602e+00 -1.95551195e+01 7 1.75484565e+01 -2.86843739e+01 -1.22060496e+01 8 -1.15308614e+01 -1.18268873e+01 3.12296955e+00 9 -1.32519699e+01 -1.38212800e+01 -2.71374578e+01 10 1.06571375e+01 2.67859208e+01 -2.23222017e+01 11 -4.61907217e+00 -1.36231164e+01 -4.55517832e+00 12 -2.72056246e+01 2.26131898e+01 1.10755594e+01 13 -6.71457611e+00 -5.19308077e+00 -4.53946790e+01 14 1.55935697e+01 1.78539126e+01 -1.47581808e+01 15 4.37639920e+01 -6.98670897e+00 -1.30612965e+00 16 -1.86393667e+00 4.26006004e+01 2.82902581e+00 17 -2.60456668e+01 -1.30042290e+01 1.97233786e+00 18 5.68774780e+00 1.00396911e+01 4.21691425e+00 19 1.57216176e+00 -2.11185059e+01 1.61140330e+01 20 -1.37671426e+01 7.26794476e+00 1.31120242e+01 21 -1.03385485e+01 -2.46744767e+01 2.48352916e+00 22 2.92402724e+01 1.44876553e+01 1.06067582e+01 23 1.73399160e+01 -9.84475067e+00 1.54245830e+01 24 -6.05238781e+00 1.11004014e+01 1.82468133e+01 25 -3.19631350e+01 -5.71081716e+00 5.84882746e+00 26 -3.44161767e+00 3.38297179e+01 -6.27392939e+00 27 3.80077162e+00 -2.62293161e+01 2.27111654e+01 28 -2.51651308e+01 1.96953005e+01 1.25543909e+01 29 -8.99069212e+00 -1.62409738e+01 1.14456576e+01 30 2.30191851e+01 2.66439037e+01 1.26892555e+00 31 2.29718907e+01 -9.80181976e+00 2.58045203e+01 32 8.32153480e+00 2.07162181e+01 2.52083289e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 509.689871167 Forces: 1 1.63239902e+01 -1.13714469e+01 2.50676247e+00 2 -1.10624351e+01 1.20336738e+01 5.30782538e+00 3 8.19869722e+00 6.82496911e+00 -4.44729590e-01 4 1.54016096e+01 1.80310705e+01 9.67133286e+00 5 1.52921722e+00 -1.14074862e+01 1.25672089e+00 6 -1.46198191e+01 2.27382257e+01 2.26703131e+00 7 -7.43279847e+00 -1.64612140e+01 -9.61935995e+00 8 -1.42700949e+01 -1.06668817e+01 5.34776303e+00 9 -1.18451444e+01 -2.87210090e+01 4.46717849e+00 10 1.26617024e+01 1.18665093e+01 -5.29187733e-01 11 -4.06846218e+00 -1.47629024e+01 -3.79396699e+00 12 -2.74146697e+00 2.56513013e+00 2.03197576e+01 13 -6.04468800e+00 -1.06174940e+01 -2.71919548e+01 14 -1.29142751e+01 5.99515803e+00 -1.43641716e+01 15 2.37857091e+01 -8.19836503e+00 1.46202872e+00 16 -5.38240259e-01 2.10739871e+01 5.08511276e+00 17 8.47087430e+00 -1.28541365e+01 1.82748710e+00 18 7.86888351e+00 1.14786345e+01 3.30962059e+00 19 3.05113902e+00 4.08816898e+00 3.34244675e+00 20 1.43057614e+01 2.53535583e+01 -1.04961944e+01 21 -1.19320674e+01 -1.92908786e+00 2.58078553e+00 22 3.34925303e-01 2.75793934e+01 1.24096913e+01 23 -1.03997217e+01 -2.42304977e+01 -1.07736208e+01 24 -2.63647373e+00 1.74397388e+01 -1.61903237e+01 25 -1.30114034e+01 -1.10389574e+01 4.67273939e+00 26 -8.09753051e-01 6.78738294e+00 -8.62529112e+00 27 1.43780992e+01 -3.19152564e+01 -9.16376761e+00 28 -2.27902207e+01 1.39564885e+01 -1.11869123e+01 29 -9.95984842e+00 -1.75190758e+01 1.13670625e+01 30 6.45648698e+00 7.25255457e+00 3.90977704e+00 31 1.08302059e+01 -1.30383643e+01 1.46016998e+01 32 1.34796116e+01 9.66753159e+00 6.66665694e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==32765== Memcheck, a memory error detector ==32765== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==32765== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==32765== Command: python runner2.py EAM_Dynamo_Ackland_Tichy_Au__MO_104891429740_004 ==32765== ==32765== ==32765== HEAP SUMMARY: ==32765== in use at exit: 4,106,220 bytes in 5,847 blocks ==32765== total heap usage: 41,510 allocs, 35,663 frees, 51,524,805 bytes allocated ==32765== ==32765== LEAK SUMMARY: ==32765== definitely lost: 0 bytes in 0 blocks ==32765== indirectly lost: 0 bytes in 0 blocks ==32765== possibly lost: 172,767 bytes in 105 blocks ==32765== still reachable: 3,933,453 bytes in 5,742 blocks ==32765== suppressed: 0 bytes in 0 blocks ==32765== Rerun with --leak-check=full to see details of leaked memory ==32765== ==32765== For counts of detected and suppressed errors, rerun with: -v ==32765== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2384 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.