!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FoilesBaskesDaw_1986Universal3_Pt__MO_757342646688_000 Supported species : Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 179.739038478 Forces: 1 -1.85073761e+01 -3.79699290e+01 -4.25800614e+01 2 -1.27831612e+01 2.11669576e+01 -3.36570078e+01 3 1.69343068e+01 -3.25624349e+01 -3.84070489e-01 4 -2.83839393e+01 3.33356329e+01 2.09136841e+01 5 2.27477428e+01 -4.37052337e+01 -8.60381428e+00 6 1.38043604e+01 -6.64621692e+00 -1.93125666e+01 7 2.26623212e+01 -7.08714365e+01 -6.54215279e+01 8 -4.58114384e+01 -4.35638502e+01 -4.77322438e+00 9 -3.04661300e+01 -1.29462499e+01 -4.71525153e+01 10 -1.17058130e+01 5.42494279e+01 -5.36316329e+01 11 -2.46993895e+01 -3.51544845e+01 2.36956065e+01 12 -3.06628833e+01 3.18480317e+01 1.33357500e+01 13 -4.19025090e+00 -1.67569841e+01 -1.06072630e+02 14 1.82402396e+01 1.92115245e+01 -1.27778944e+01 15 1.05339947e+02 1.45456149e+01 1.83287960e+01 16 1.87161450e+01 8.11328129e+01 2.92934346e+01 17 -4.58629278e+01 -2.39179413e+01 1.20666909e+00 18 1.86451027e+01 2.05003981e+01 -3.25149091e+00 19 1.45369611e+01 -2.34990853e+01 2.81547570e+01 20 -1.75149597e+01 5.83953987e+00 2.00798224e+01 21 -3.09542546e+01 -3.04840637e+01 1.67642521e+01 22 5.87202338e+01 4.06451860e+01 5.23554067e+01 23 1.34249555e+01 -7.07430745e+00 2.27837402e+01 24 -1.15411419e+00 -1.21214942e+01 1.86631588e+01 25 -3.70703125e+01 -1.00421911e+01 -7.22104889e+00 26 -1.63789019e+01 5.62599809e+01 -1.82718143e+01 27 1.84231104e+01 -6.07827754e+01 4.07308955e+01 28 -6.16388881e+01 5.32076118e+01 1.93423733e+01 29 -1.34898123e+01 -1.91754062e+01 2.39281162e+01 30 2.46627601e+01 3.16176581e+01 -3.68872517e+00 31 4.25716499e+01 -1.59951497e+01 3.43561535e+01 32 2.18447160e+01 3.97088568e+01 4.28674095e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==31970== Memcheck, a memory error detector ==31970== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==31970== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==31970== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pt__MO_757342646688_000 ==31970== ==31970== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==31970== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==31970== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31970== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31970== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31970== by 0x4010732: call_init (dl-init.c:72) ==31970== by 0x4010732: _dl_init (dl-init.c:119) ==31970== by 0x40151FE: dl_open_worker (dl-open.c:522) ==31970== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31970== by 0x40147C9: _dl_open (dl-open.c:605) ==31970== by 0x544CF95: dlopen_doit (dlopen.c:66) ==31970== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31970== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==31970== by 0x544D734: _dlerror_run (dlerror.c:162) ==31970== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==31970== ==31970== ==31970== HEAP SUMMARY: ==31970== in use at exit: 5,105,437 bytes in 3,958 blocks ==31970== total heap usage: 110,772 allocs, 106,814 frees, 58,361,169 bytes allocated ==31970== ==31970== LEAK SUMMARY: ==31970== definitely lost: 0 bytes in 0 blocks ==31970== indirectly lost: 0 bytes in 0 blocks ==31970== possibly lost: 182,191 bytes in 111 blocks ==31970== still reachable: 4,923,246 bytes in 3,847 blocks ==31970== suppressed: 0 bytes in 0 blocks ==31970== Rerun with --leak-check=full to see details of leaked memory ==31970== ==31970== For counts of detected and suppressed errors, rerun with: -v ==31970== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 from 172) ================================================================================ 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.