!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : model_He_P_AbIn__MO_126942667206_001 Supported species : He random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = He (Configuration in file "config-F-He.xyz") ----------------------------------------------------------------------------------------------------- Energy = -833.744056035 Forces: 1 2.58936851e+01 3.10467313e+01 3.77158587e+01 2 1.73305499e+01 -2.91585690e+01 3.76803548e+01 3 8.03575366e+00 3.59427008e+01 -2.33776623e+01 4 2.82897856e+01 -1.85179826e+01 -1.69367678e+01 5 -3.47561236e+01 4.96789423e+01 3.22973962e+01 6 -3.15608982e+01 1.34339612e+01 3.82016833e+01 7 -2.40724217e+01 8.08443991e+01 4.62251391e+01 8 4.64781824e+01 2.36210802e+01 -1.36254903e+00 9 2.67444725e+01 2.37908872e+01 5.83606147e+01 10 4.43242381e+00 -5.38817579e+01 4.09323201e+01 11 3.64905071e+00 3.13762263e+01 2.02546551e+00 12 4.53456237e+01 -5.43020001e+01 -8.07909649e+00 13 4.47783888e+01 3.20840462e+01 1.06371164e+02 14 -5.80633847e+01 -5.15497510e+01 4.86279881e+01 15 -1.08443189e+02 3.59208084e+01 -2.79146689e+01 16 2.80257833e+01 -1.05572394e+02 -2.38472242e+01 17 4.40337071e+01 3.74962273e+01 1.30318292e+01 18 -8.35414489e+00 -3.13453349e+01 2.10344953e+01 19 8.76274434e+00 5.25634887e+01 -3.74559595e+01 20 2.19190895e+01 -1.87287641e+01 -3.23418387e+01 21 2.38478143e+01 5.00668033e+01 1.41841148e+01 22 -6.65985694e+01 -3.76520749e+01 -3.75421374e+01 23 -4.23731402e+01 8.16343015e+00 -4.50765028e+01 24 -1.35647160e+01 -3.18115658e+01 -3.79820475e+01 25 4.98561530e+01 3.35794356e+01 -1.15048818e+01 26 1.06398095e+01 -7.53185506e+01 2.35331639e+01 27 -1.99495907e+01 5.51122494e+01 -6.37736175e+01 28 7.91533567e+01 -4.98750859e+01 -2.83485517e+01 29 2.42662197e+01 4.26199650e+01 1.47689461e+00 30 -5.06117723e+01 -5.50630108e+01 -7.92884813e+00 31 -8.59845408e+01 4.68385625e+01 -5.00703739e+01 32 2.84989835e+00 -7.14031031e+01 -6.81557548e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = He (Configuration in file "config-T-He.xyz") ----------------------------------------------------------------------------------------------------- Energy = -1254.56496854 Forces: 1 5.98202966e+00 4.37968614e+01 -6.41829847e+00 2 3.09662597e+01 -3.72822914e+01 -2.88365599e+01 3 1.03582686e+01 -1.30850580e+00 -3.52651391e+01 4 -2.07580810e+01 -2.20439696e+01 -8.45496536e+00 5 -4.90149288e+01 1.19345183e+01 1.13359207e+01 6 1.33337363e+00 -9.07943194e+00 1.16325846e+01 7 -5.82159129e+00 6.14055080e+01 4.39970126e+01 8 5.05143715e+01 2.25762205e+01 -2.99963605e+00 9 3.15381343e+01 5.16067522e+01 -1.34335253e+01 10 9.04408567e+00 -1.89169487e+01 1.25813207e+01 11 2.31451439e+00 3.37927548e+01 -3.11796253e-01 12 -4.77901241e+00 -3.88986763e+01 -1.52648781e+01 13 4.27859486e+01 3.93590907e+01 8.03169932e+01 14 -1.68129932e+01 -5.06095355e+01 4.97635415e+01 15 -8.07673769e+01 3.96534968e+01 -3.00846530e+01 16 2.77816492e+01 -7.42675828e+01 -2.84650905e+01 17 -9.85487036e+00 3.64577965e+01 2.16348199e+01 18 -1.12619465e+01 -3.37900879e+01 2.30190196e+01 19 1.40768336e+01 3.40233610e+01 -6.52803293e+00 20 -2.65675153e+01 -5.70164672e+01 1.25059466e+01 21 2.85282186e+01 2.26096059e+01 1.44677972e+01 22 -2.07926817e+01 -5.38096123e+01 -4.58622614e+01 23 2.16655452e+01 3.38776664e+01 -2.74780191e+01 24 -3.07322247e+01 -3.59087230e+01 2.17953517e+01 25 1.52564932e+01 4.63486715e+01 -1.02579100e+01 26 9.82308302e+00 -5.14306180e+01 3.02446947e+01 27 -4.22151676e+01 6.51037743e+01 6.54844216e-01 28 6.38814509e+01 -5.78067037e+01 8.50097637e+00 29 2.56729151e+01 4.47717907e+01 2.55267173e+00 30 -9.40261524e+00 -4.08146648e+01 -1.10711369e+01 31 -6.47782359e+01 5.23564789e+01 -3.47036262e+01 32 2.03606610e+00 -5.66905287e+01 -3.95679666e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28468== Memcheck, a memory error detector ==28468== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==28468== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==28468== Command: python runner2.py model_He_P_AbIn__MO_126942667206_001 ==28468== ==28468== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==28468== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==28468== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==28468== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==28468== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==28468== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==28468== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==28468== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==28468== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==28468== ==28468== HEAP SUMMARY: ==28468== in use at exit: 4,037,495 bytes in 5,772 blocks ==28468== total heap usage: 83,551 allocs, 77,779 frees, 46,654,585 bytes allocated ==28468== ==28468== LEAK SUMMARY: ==28468== definitely lost: 0 bytes in 0 blocks ==28468== indirectly lost: 0 bytes in 0 blocks ==28468== possibly lost: 162,838 bytes in 96 blocks ==28468== still reachable: 3,874,657 bytes in 5,676 blocks ==28468== suppressed: 0 bytes in 0 blocks ==28468== Rerun with --leak-check=full to see details of leaked memory ==28468== ==28468== For counts of detected and suppressed errors, rerun with: -v ==28468== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2379 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.