!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FellingerParkWilkins_2010_Nb__MO_102133002179_005 Supported species : Nb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Nb (Configuration in file "config-F-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = -115.950465102 Forces: 1 -3.99533745e+00 -4.30161671e+00 -4.22292252e+00 2 -1.68404822e+01 -2.35534084e+01 -4.77868581e+01 3 -1.54207739e+01 -3.95582497e+01 -1.74281615e+01 4 -4.79765620e+01 -2.30467598e+01 -1.84784826e+01 5 -1.09136711e-02 -2.10903811e+01 -2.10229179e+01 6 2.25584969e+01 -4.47341772e-01 -2.30519836e+01 7 2.38832639e+01 -2.44665712e+01 -1.13464004e+00 8 3.32784428e+01 -5.24137654e+01 -4.85999030e+01 9 -3.10980538e+01 4.66356405e-01 -3.14298540e+01 10 -1.42041688e-01 2.93042704e+01 -2.91162869e+01 11 -2.87346393e+01 3.06256124e+01 -3.88487408e+01 12 -3.06616743e+01 3.08797524e+01 -5.56335665e-01 13 2.24545700e+01 1.74313237e+01 -4.63216363e+01 14 3.91049340e+00 4.09773288e+00 -3.88115174e+00 15 5.01081022e+01 1.86699388e+01 -2.51106634e+01 16 2.09187105e+01 5.06671505e+01 -2.22939550e+01 17 -2.49996249e+01 -2.54231237e+01 1.03296353e-01 18 -4.21698600e+01 -5.07287756e+01 2.82047381e+01 19 -5.48495762e-01 -2.59672870e+01 2.52436566e+01 20 -2.85351554e+01 -1.35651334e+00 2.78767733e+01 21 1.80580001e+01 -4.25164982e+01 1.65109248e+01 22 5.31419447e+01 -2.68825952e+01 1.88445694e+01 23 6.19897822e+00 -6.69258098e+00 6.34675626e+00 24 2.08606594e+01 -2.74519258e+01 5.64603672e+01 25 -5.08781913e+01 1.96345310e+01 2.37338909e+01 26 -2.54330884e+01 5.66452572e+01 2.28734029e+01 27 -2.47826498e+01 1.94909573e+01 5.08112100e+01 28 -5.96629495e+00 5.97438286e+00 6.07038767e+00 29 3.96010762e+01 4.77451155e+01 3.26759674e+01 30 3.11125683e+01 3.16146105e+01 6.69957956e-01 31 3.12994552e+01 7.61172868e-01 3.13583255e+01 32 8.09076895e-01 3.18892294e+01 3.15002686e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Nb (Configuration in file "config-T-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 71.8286560367 Forces: 1 -9.00400061e+00 4.30837652e+01 -6.06304939e+00 2 4.01584603e-01 -3.89684474e+01 2.09262740e+01 3 2.33765847e+01 4.30289485e+01 3.29130043e+01 4 7.86143662e+00 2.53845056e+00 2.06026923e+01 5 6.91808606e+00 6.45275919e+01 1.79423372e+01 6 -2.43670534e+01 -4.02488632e+01 1.87390124e+01 7 -2.13258863e+01 2.96635342e+01 -3.00324626e+01 8 -2.64946607e+01 -2.36673183e+01 -7.83521160e+00 9 -2.31310596e+01 -5.37360992e-01 1.01053609e+01 10 -1.91153145e+01 1.43682156e+01 2.11354088e+01 11 3.90140409e+01 -4.23257358e+01 2.11626956e+01 12 1.66674493e+01 1.85206441e+01 1.16161838e+01 13 1.62798012e+01 -4.67081830e+01 2.90569012e+01 14 -1.12964572e+01 2.34827011e+00 1.53995922e+00 15 -6.72267376e+00 -4.54840555e+01 -1.72143364e+01 16 -1.83189939e+01 -7.92549809e+00 8.70824512e+00 17 2.03874718e+01 4.32585403e+01 1.89428166e+01 18 9.51172315e+00 -2.27697136e+01 -4.05082699e+01 19 2.56442519e+01 2.60171498e+01 -2.35524711e+01 20 -3.87762579e+00 -2.04459743e+01 1.08671417e+01 21 -3.57745167e+01 2.94356434e+01 -1.33783185e+01 22 1.48256707e+01 5.09301702e-01 -1.65469382e+01 23 1.43075653e+01 1.84761098e+01 2.43553167e+01 24 2.39748679e+01 -3.26177256e+01 9.78077278e+00 25 -4.43097566e+00 -3.58613455e+01 -1.17521036e+01 26 -3.83215393e+00 3.84744734e+01 -4.20185779e+01 27 1.75964478e+01 -4.96632991e+01 -1.51267845e+01 28 -8.14654469e+00 2.54413370e+01 1.99892405e+01 29 -1.13913628e+01 -2.83876821e+00 -4.32224918e+01 30 -1.96423734e+01 1.84954309e+01 1.01246107e+01 31 1.83744574e+01 -5.99369275e+01 -1.46786835e+01 32 -8.26978642e+00 5.18118097e+01 -2.65782748e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==31425== Memcheck, a memory error detector ==31425== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==31425== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==31425== Command: python runner2.py EAM_Dynamo_FellingerParkWilkins_2010_Nb__MO_102133002179_005 ==31425== ==31425== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==31425== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==31425== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31425== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31425== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31425== by 0x4010732: call_init (dl-init.c:72) ==31425== by 0x4010732: _dl_init (dl-init.c:119) ==31425== by 0x40151FE: dl_open_worker (dl-open.c:522) ==31425== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31425== by 0x40147C9: _dl_open (dl-open.c:605) ==31425== by 0x544CF95: dlopen_doit (dlopen.c:66) ==31425== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31425== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==31425== by 0x544D734: _dlerror_run (dlerror.c:162) ==31425== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==31425== ==31425== ==31425== HEAP SUMMARY: ==31425== in use at exit: 9,928,096 bytes in 3,968 blocks ==31425== total heap usage: 115,729 allocs, 111,761 frees, 68,358,818 bytes allocated ==31425== ==31425== LEAK SUMMARY: ==31425== definitely lost: 0 bytes in 0 blocks ==31425== indirectly lost: 0 bytes in 0 blocks ==31425== possibly lost: 182,711 bytes in 112 blocks ==31425== still reachable: 9,745,385 bytes in 3,856 blocks ==31425== suppressed: 0 bytes in 0 blocks ==31425== Rerun with --leak-check=full to see details of leaked memory ==31425== ==31425== For counts of detected and suppressed errors, rerun with: -v ==31425== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2515 from 171) ================================================================================ 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.