Model Extended KIM ID = === Verification check vc-memory-leak start (2018-12-15 06:07:06) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AdamsFoilesWolfer_1989Universal6_Ag__MO_681640899874_000 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 207.29076988 Forces: 1 -8.81123933e+00 -1.54177137e+01 -1.65464133e+01 2 -6.60420110e+00 9.95265292e+00 -1.45836721e+01 3 7.51817108e+00 -2.38614820e+01 -9.75788315e+00 4 -1.58721022e+01 8.16336140e+00 4.61364532e+00 5 -2.27002174e+00 -2.52602054e+01 -8.25418757e+00 6 1.59856288e+01 9.52770945e+00 -1.70626322e+01 7 1.70464021e+01 -3.67134075e+01 -2.20621692e+01 8 -1.71787890e+01 -1.46170718e+01 -4.98825531e+00 9 -1.62650727e+01 -1.19233026e+01 -2.79146752e+01 10 -5.05968450e+00 3.01638358e+01 -2.99579493e+01 11 -3.37687043e+00 -2.02808863e+01 3.23232421e+00 12 -2.00553873e+01 2.89286717e+01 1.57315132e+00 13 -4.33994857e+00 -1.95787790e+01 -5.36793270e+01 14 1.50534144e+01 1.84221065e+01 -1.31686495e+01 15 4.91817231e+01 -1.27399090e+01 4.44089656e+00 16 5.72562553e+00 4.50741321e+01 1.54470218e+01 17 -2.63415673e+01 -1.43482728e+01 -6.19874330e+00 18 5.28237169e+00 1.67012480e+01 9.55178174e+00 19 1.22181446e+01 -1.82253983e+01 1.55386007e+01 20 -1.16401138e+01 1.39491856e+01 1.34389514e+01 21 -1.87186735e+01 -1.79497553e+01 1.26640237e+01 22 2.99981075e+01 2.70195717e+01 2.11300386e+01 23 7.14709685e+00 -3.58056116e+00 1.54068377e+01 24 7.91262174e+00 -9.85728109e+00 1.03714639e+01 25 -2.15760905e+01 -1.12266359e+01 2.06192364e+01 26 -9.42187811e+00 3.20215669e+01 -1.30706427e+01 27 5.56145181e-01 -3.20792336e+01 1.71676232e+01 28 -3.31211877e+01 2.61306847e+01 8.74774133e+00 29 -1.00879794e+01 -1.60684616e+01 1.15809217e+01 30 1.72847207e+01 2.50494388e+01 6.07117404e+00 31 2.66256515e+01 -1.30465337e+01 1.97300491e+01 32 1.32049825e+01 2.56707250e+01 2.59197168e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 387.619773858 Forces: 1 3.42787083e+01 -2.31457985e+01 8.94832500e+00 2 -2.22453870e+01 -5.07760583e-01 2.73573376e+01 3 5.48067474e+00 1.44477748e+00 -6.93205627e+00 4 1.61275540e+01 1.69164896e+01 -5.85044237e+00 5 4.33088108e+00 -2.50875348e+00 -5.38208501e+00 6 -3.33951519e+01 4.04393368e+01 1.38234992e+01 7 -2.23444769e+00 -2.98596897e+01 -2.16135826e+01 8 -1.71975762e+01 -1.52478775e+01 -5.36592609e+00 9 -2.38692697e+01 -2.98779460e+01 1.46203912e+01 10 -1.34729376e+01 1.55928522e+01 -1.10918316e+01 11 -4.36447432e+00 -1.95387252e+01 2.57662880e+00 12 5.72020844e+00 1.25102155e+01 6.88756493e+00 13 -1.27735183e+00 -2.08154686e+01 -3.71915383e+01 14 -1.12998475e+01 6.46188521e+00 -1.73410797e+01 15 3.38476454e+01 -1.20870400e+01 3.28526495e+00 16 8.06393693e+00 2.96123411e+01 1.65816603e+01 17 1.17250201e+01 -2.07248634e+01 -6.46925862e+00 18 5.10937627e+00 1.56527292e+01 9.78279631e+00 19 1.18128667e+01 6.74828810e+00 1.04173694e+01 20 2.33083715e+01 4.01732356e+01 -9.71991554e+00 21 -1.84300233e+01 -1.08834468e+00 1.39349522e+01 22 -4.80336503e+00 4.03141010e+01 2.64917649e+01 23 -3.03231516e+01 -3.25946068e+01 -2.13937883e+01 24 2.66655197e+01 2.33781200e+00 -2.77553544e+01 25 -6.87927571e+00 -1.53320431e+01 2.05037546e+01 26 -7.32206659e+00 7.28898437e+00 -1.57782649e+01 27 1.35511033e+01 -3.27553507e+01 -1.53975713e+01 28 -3.15301396e+01 2.42645005e+01 -1.11592565e+01 29 -9.40881164e+00 -1.53695237e+01 1.22601037e+01 30 -1.03748056e+00 9.00669787e+00 1.25468398e+01 31 1.97364836e+01 -1.54140948e+01 1.25845642e+01 32 1.93324078e+01 1.81036402e+01 5.83913443e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==29025== Memcheck, a memory error detector ==29025== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==29025== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==29025== Command: python runner2.py EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ag__MO_681640899874_000 ==29025== ==29025== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==29025== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==29025== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29025== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29025== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29025== by 0x4010732: call_init (dl-init.c:72) ==29025== by 0x4010732: _dl_init (dl-init.c:119) ==29025== by 0x40151FE: dl_open_worker (dl-open.c:522) ==29025== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29025== by 0x40147C9: _dl_open (dl-open.c:605) ==29025== by 0x544CF95: dlopen_doit (dlopen.c:66) ==29025== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29025== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==29025== by 0x544D734: _dlerror_run (dlerror.c:162) ==29025== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==29025== ==29025== ==29025== HEAP SUMMARY: ==29025== in use at exit: 5,109,353 bytes in 3,962 blocks ==29025== total heap usage: 114,195 allocs, 110,233 frees, 58,440,158 bytes allocated ==29025== ==29025== LEAK SUMMARY: ==29025== definitely lost: 0 bytes in 0 blocks ==29025== indirectly lost: 0 bytes in 0 blocks ==29025== possibly lost: 182,191 bytes in 111 blocks ==29025== still reachable: 4,927,162 bytes in 3,851 blocks ==29025== suppressed: 0 bytes in 0 blocks ==29025== Rerun with --leak-check=full to see details of leaked memory ==29025== ==29025== For counts of detected and suppressed errors, rerun with: -v ==29025== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2504 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. === Verification check vc-memory-leak end (2018-12-15 06:07:37) ===