!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AcklandBaconCalder_1997_Fe__MO_142799717516_005 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.629349007 Forces: 1 -2.52721553e+00 -6.15933167e+00 -6.50862648e+00 2 -4.47779072e+00 5.08562395e+00 -5.86719412e+00 3 4.41323300e+00 -9.56197171e+00 -4.71991305e+00 4 -5.53292315e+00 4.80001312e+00 2.93478181e+00 5 4.35487785e-01 -1.12212362e+01 -3.71177175e+00 6 5.74461065e+00 2.94365508e+00 -6.39915597e+00 7 6.84623444e+00 -1.57715811e+01 -1.08050883e+01 8 -8.13680256e+00 -8.02146507e+00 4.06524809e+00 9 -6.95509862e+00 -7.13136633e+00 -1.17586331e+01 10 -6.80731068e-01 1.32275550e+01 -1.25772738e+01 11 -3.53822320e+00 -9.97197403e+00 3.52829738e+00 12 -8.24542214e+00 1.12549067e+01 2.74820818e+00 13 -2.99545226e+00 -6.40397713e+00 -2.65506581e+01 14 5.85848146e+00 8.02967380e+00 -5.13854060e+00 15 2.31082375e+01 -6.65595860e+00 3.90525648e+00 16 2.12205176e+00 2.12125367e+01 7.00062624e+00 17 -1.18004017e+01 -5.72704445e+00 -3.89158921e+00 18 5.07421745e+00 8.91267002e+00 4.91329701e+00 19 5.95615013e+00 -7.17978070e+00 6.36513026e+00 20 -3.41979866e+00 7.75669122e+00 4.94453368e+00 21 -1.02001160e+01 -8.33226693e+00 1.29117915e+00 22 1.12978769e+01 1.37845865e+01 1.05165309e+01 23 6.13413904e+00 -3.32540785e+00 4.14762234e+00 24 -3.84375348e+00 5.95757434e+00 4.15905980e+00 25 -9.16236317e+00 -5.93714112e+00 5.64093441e+00 26 -3.76736605e+00 1.46076849e+01 -7.30939687e+00 27 5.11177184e+00 -2.10044240e+01 8.42302280e+00 28 -1.46438325e+01 1.18216774e+01 3.87413014e+00 29 -5.51957561e+00 -1.20489347e+01 5.09781098e+00 30 6.55987010e+00 1.07829146e+01 2.63712301e+00 31 1.08881665e+01 -6.39359941e+00 7.87605637e+00 32 5.89633800e+00 1.06696976e+01 1.11689922e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 25.3315837583 Forces: 1 1.22376596e+01 -9.37977269e+00 3.56552185e+00 2 -9.69192420e+00 6.72643977e+00 3.74435674e+00 3 2.52447698e+00 1.12247403e+00 -3.17119163e+00 4 9.33558217e+00 8.57011377e+00 -1.31782322e+00 5 3.35911820e+00 -5.41092621e+00 -3.41612287e-02 6 -6.81852548e+00 1.46011520e+01 2.58996947e+00 7 -1.52375056e+00 -1.45998647e+01 -1.20035507e+01 8 -8.08794422e+00 -8.26713759e+00 3.90231856e+00 9 -1.18354009e+01 -1.50239072e+01 6.89059162e+00 10 -5.26863798e+00 8.17061755e+00 -5.26092313e+00 11 -3.85708896e+00 -9.33245603e+00 2.92069160e+00 12 2.62570958e+00 5.08668143e+00 4.63296374e+00 13 -1.57805176e+00 -8.08952668e+00 -2.10171846e+01 14 -5.75434651e+00 2.90919117e+00 -6.78029255e+00 15 1.73216356e+01 -6.06104765e+00 3.18837318e+00 16 3.82607742e+00 1.49140160e+01 7.73197680e+00 17 5.89157826e+00 -9.52121915e+00 -3.70354898e+00 18 5.02858569e+00 8.51626717e+00 5.29668709e+00 19 5.50504766e+00 3.40528606e+00 5.73743413e+00 20 7.71442756e+00 1.67493165e+01 -5.70552254e+00 21 -9.68646750e+00 -1.87861461e+00 2.76708331e+00 22 -3.51022307e+00 2.01878941e+01 1.34099500e+01 23 -8.59505313e+00 -1.22417357e+01 -3.40659090e+00 24 -1.13572966e+00 8.28712278e+00 -1.14153858e+01 25 -3.63558560e+00 -7.66057547e+00 6.22022482e+00 26 -3.35355094e+00 3.96117386e+00 -8.49601421e+00 27 1.12898450e+01 -2.15116221e+01 -6.07959834e+00 28 -1.48256974e+01 1.14146661e+01 -5.04408364e+00 29 -5.07013634e+00 -1.15556272e+01 5.21606148e+00 30 -7.01989180e-01 4.21020813e+00 5.82402020e+00 31 9.28248408e+00 -6.67363189e+00 6.09849984e+00 32 8.98787555e+00 8.37504452e+00 3.69914699e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==27436== Memcheck, a memory error detector ==27436== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==27436== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==27436== Command: python runner2.py EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005 ==27436== ==27436== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==27436== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==27436== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==27436== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==27436== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==27436== by 0x4010732: call_init (dl-init.c:72) ==27436== by 0x4010732: _dl_init (dl-init.c:119) ==27436== by 0x40151FE: dl_open_worker (dl-open.c:522) ==27436== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==27436== by 0x40147C9: _dl_open (dl-open.c:605) ==27436== by 0x544CF95: dlopen_doit (dlopen.c:66) ==27436== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==27436== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==27436== by 0x544D734: _dlerror_run (dlerror.c:162) ==27436== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==27436== ==27436== ==27436== HEAP SUMMARY: ==27436== in use at exit: 9,913,335 bytes in 3,962 blocks ==27436== total heap usage: 112,366 allocs, 108,404 frees, 63,682,720 bytes allocated ==27436== ==27436== LEAK SUMMARY: ==27436== definitely lost: 0 bytes in 0 blocks ==27436== indirectly lost: 0 bytes in 0 blocks ==27436== possibly lost: 182,191 bytes in 111 blocks ==27436== still reachable: 9,731,144 bytes in 3,851 blocks ==27436== suppressed: 0 bytes in 0 blocks ==27436== Rerun with --leak-check=full to see details of leaked memory ==27436== ==27436== For counts of detected and suppressed errors, rerun with: -v ==27436== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 from 170) ================================================================================ 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.