!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HanZepedaAckland_2003_V__MO_411020944797_000 Supported species : V random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = 4.71623718634 Forces: 1 -6.25578603e+00 -5.96595550e+00 -9.49412144e+00 2 -3.43567788e+00 1.03567125e+01 -8.15889874e+00 3 1.59523538e+00 -8.95109493e+00 5.39605948e+00 4 -6.56983708e+00 5.54180677e+00 2.40229797e+00 5 5.11678077e+00 -1.22150741e+01 -6.76877949e+00 6 5.90627607e+00 3.58450939e+00 -5.49294021e+00 7 1.21814014e+01 -2.23970188e+01 -2.51395527e+01 8 -1.31276178e+01 -3.12785254e+00 -8.49728073e+00 9 -9.49618762e+00 -1.00218172e+01 -1.60930300e+01 10 6.51232167e+00 1.51633348e+01 -1.21762471e+01 11 -2.48374670e+00 -1.23289012e+01 3.56980112e+00 12 -1.33217834e+01 1.25742759e+01 7.44936100e+00 13 -1.09284773e+01 -1.26330989e+01 -3.71942874e+01 14 6.59891404e+00 7.63171050e+00 -5.28462910e+00 15 3.33080688e+01 -5.29078189e+00 1.21745186e+01 16 -9.35230964e-01 2.64400662e+01 8.53824861e+00 17 -9.79064744e+00 -6.61821739e+00 3.59477744e-01 18 2.00055926e+00 7.49804240e+00 -1.17153746e+00 19 2.08876423e+00 -1.04610116e+01 6.59404874e+00 20 -6.15596713e+00 4.77302658e+00 5.51809857e+00 21 -1.27192999e+01 -1.62288409e+01 1.44327569e+01 22 2.27881679e+01 1.25542731e+01 1.09541116e+01 23 7.81186647e+00 -4.07810768e+00 6.24603964e+00 24 -3.07832633e+00 6.96049886e+00 8.68067367e+00 25 -1.13286388e+01 -4.58070917e+00 2.49047242e+00 26 -3.20904500e+00 1.67245236e+01 -7.27980794e+00 27 1.87910195e+01 -3.21555685e+01 1.02206014e+01 28 -2.92334390e+01 2.44408727e+01 4.84499586e+00 29 -6.17164617e+00 9.45583988e-01 1.24923853e+01 30 9.39604478e+00 1.51180976e+01 -6.44761595e+00 31 9.30428364e+00 -1.36703388e+01 1.42616888e+01 32 4.84165064e+00 1.04170543e+01 1.25730908e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = 66.1797392248 Forces: 1 2.54915959e+01 -1.65242579e+01 5.38774103e+00 2 -1.30320578e+01 1.30784646e+01 7.87441379e+00 3 1.15471058e+00 5.49300739e+00 9.47999936e+00 4 6.54641181e+00 8.76047550e+00 -7.09721121e-01 5 6.62839112e+00 -7.30470895e+00 -1.00911344e+00 6 -2.83370210e+01 3.78897044e+01 2.45165793e+01 7 5.41525841e+00 -1.96640337e+01 -2.45100281e+01 8 -1.30408227e+01 -3.72045726e+00 -8.42635848e+00 9 -1.73306481e+01 -2.19053066e+01 1.08994413e+01 10 5.45480769e+00 6.06026228e+00 -4.52591727e+00 11 -3.83204548e+00 -1.24515190e+01 3.19016323e+00 12 1.07929347e+00 3.82067923e+00 1.85595334e+01 13 -9.24634110e+00 -1.40762138e+01 -3.06694975e+01 14 -1.32895134e+01 3.98799407e+00 -1.05647310e+01 15 2.53856972e+01 -4.19116018e+00 1.08592375e+01 16 4.28088826e-04 1.80957672e+01 1.01419212e+01 17 1.10608241e+01 -1.68272850e+01 -1.91698683e+00 18 2.52672915e+00 6.43019579e+00 -3.15657783e-01 19 1.98109414e+00 1.02750913e+00 2.65000707e+00 20 1.42338608e+01 2.07178126e+01 -5.23917862e+00 21 -1.22778544e+01 -7.32274403e+00 1.49039180e+01 22 1.87044094e+00 2.54482358e+01 1.45441467e+01 23 -9.61806691e+00 -3.26077574e+01 -2.72123007e+01 24 5.14346364e+00 9.59871254e+00 -1.20591748e+01 25 -4.13805870e+00 -6.65884000e+00 1.57116844e+00 26 -2.32120916e+00 6.57449922e+00 -9.29832837e+00 27 3.03503988e+01 -3.26369828e+01 -1.35911781e+01 28 -2.82547579e+01 2.70947294e+01 -7.34153629e+00 29 -5.37534583e+00 1.87729479e+00 1.25110986e+01 30 3.13358472e+00 7.14945151e+00 -6.25022515e+00 31 5.36894393e+00 -1.45433653e+01 1.12453358e+01 32 7.26780818e+00 7.32983625e+00 5.30522893e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==32623== Memcheck, a memory error detector ==32623== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==32623== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==32623== Command: python runner2.py EAM_Dynamo_HanZepedaAckland_2003_V__MO_411020944797_000 ==32623== ==32623== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==32623== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==32623== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32623== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32623== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32623== by 0x4010732: call_init (dl-init.c:72) ==32623== by 0x4010732: _dl_init (dl-init.c:119) ==32623== by 0x40151FE: dl_open_worker (dl-open.c:522) ==32623== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==32623== by 0x40147C9: _dl_open (dl-open.c:605) ==32623== by 0x544CF95: dlopen_doit (dlopen.c:66) ==32623== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==32623== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==32623== by 0x544D734: _dlerror_run (dlerror.c:162) ==32623== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==32623== ==32623== ==32623== HEAP SUMMARY: ==32623== in use at exit: 9,923,841 bytes in 3,962 blocks ==32623== total heap usage: 112,685 allocs, 108,723 frees, 63,721,334 bytes allocated ==32623== ==32623== LEAK SUMMARY: ==32623== definitely lost: 0 bytes in 0 blocks ==32623== indirectly lost: 0 bytes in 0 blocks ==32623== possibly lost: 182,191 bytes in 111 blocks ==32623== still reachable: 9,741,650 bytes in 3,851 blocks ==32623== suppressed: 0 bytes in 0 blocks ==32623== Rerun with --leak-check=full to see details of leaked memory ==32623== ==32623== For counts of detected and suppressed errors, rerun with: -v ==32623== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2498 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.