!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : TT_Modified_HellmannBichVogel_2007_He__MO_126942667206_002 Supported species : He random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = He (Configuration in file "config-F-He.xyz") ----------------------------------------------------------------------------------------------------- Energy = -678.168492739 Forces: 1 1.65268129e+01 4.23067642e+01 3.55183935e+01 2 1.22909946e+01 -9.64030108e+00 3.77407758e+01 3 -1.46774735e+01 3.83804106e+01 1.50496286e+01 4 3.00825206e+01 -2.60531275e+01 -2.11246504e+01 5 -8.25645887e+00 4.63032279e+01 2.05792825e+01 6 -2.69236531e+01 -4.63968768e+00 3.12166457e+01 7 -2.71028528e+01 6.61369081e+01 4.48537695e+01 8 2.51385347e+01 2.73771861e+01 -8.84825191e+00 9 3.92024646e+01 -1.64689604e-01 4.76577883e+01 10 1.54317153e+01 -5.96027047e+01 5.27121099e+01 11 1.83814933e+01 3.27799929e+01 -2.80107732e+01 12 3.13309983e+01 -4.35748153e+01 1.41687740e+01 13 1.96762022e+00 1.77421745e+01 1.01901461e+02 14 -2.76338544e+01 -3.14558266e+01 2.42150887e+01 15 -8.89488989e+01 1.27741597e+01 -1.56241835e+01 16 -8.56802809e+00 -7.66915120e+01 -2.70267589e+01 17 4.78679327e+01 2.38857905e+01 -4.25472855e+00 18 -1.29034075e+01 -2.88812424e+01 -5.61889413e+00 19 -3.55866495e+00 3.68158511e+01 -2.43928454e+01 20 2.39069824e+01 -1.21924234e+01 -2.26723905e+01 21 2.44216704e+01 3.77631180e+01 -1.14409062e+01 22 -5.19377696e+01 -4.47475715e+01 -3.69942255e+01 23 -2.54061857e+01 1.42133510e+01 -2.65805115e+01 24 2.91167945e+00 -1.62523734e+01 -2.72279712e+01 25 3.36185171e+01 3.16899690e+01 -1.11430651e+01 26 1.14001646e+01 -5.60236887e+01 1.76805550e+01 27 -2.01275409e+01 6.58669996e+01 -4.07055649e+01 28 6.18049708e+01 -5.26871530e+01 -2.23473502e+01 29 1.65264404e+01 3.26102331e+01 -1.71068862e+01 30 -3.26283346e+01 -4.23467259e+01 -9.07083210e+00 31 -4.23916148e+01 1.86562016e+01 -3.73280087e+01 32 -2.17467746e+01 -4.03484951e+01 -4.57754745e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = He (Configuration in file "config-T-He.xyz") ----------------------------------------------------------------------------------------------------- Energy = -1202.1001043 Forces: 1 -4.71289712e+01 5.75606127e+01 -7.56189793e+00 2 4.00267111e+01 -1.98668458e+01 -2.33236461e+01 3 -1.52913669e+01 -9.90209096e+00 1.18541450e+01 4 -2.88398185e+01 -4.12313531e+01 -3.22680253e+01 5 -1.78281372e+01 1.34979393e+01 -2.84586277e+00 6 5.41942579e+01 -5.85777845e+01 -1.64774542e+01 7 1.25381790e+01 4.67592810e+01 4.51375483e+01 8 2.90829143e+01 2.58587816e+01 -1.22149560e+01 9 4.89410070e+01 3.17912225e+01 -2.74927232e+01 10 2.70538291e+01 -2.87537518e+01 1.91658468e+01 11 1.69443343e+01 3.53860398e+01 -3.31863532e+01 12 -1.16795261e+01 -1.01693251e+01 2.56218123e+01 13 1.36711239e+00 2.59769530e+01 7.49814307e+01 14 4.44669116e+00 -9.81840065e+00 1.99229558e+01 15 -6.14657340e+01 1.57554957e+01 -1.66460393e+01 16 -1.19548785e+01 -4.46062743e+01 -3.12981869e+01 17 -2.00181181e+01 2.55821575e+01 -1.28310018e+01 18 -1.75835260e+01 -3.14637250e+01 -4.15065317e+00 19 -5.98579546e+00 -7.48721405e+00 -1.05280140e+01 20 -4.11396890e+01 -5.70441802e+01 2.15452105e+01 21 2.73419304e+01 3.82323280e+00 -1.22733925e+01 22 5.04002525e+00 -7.79794137e+01 -3.95580483e+01 23 3.60333148e+01 6.55502252e+01 3.87957022e+01 24 -2.33962876e+01 -2.63172041e+01 4.60574176e+01 25 4.18917848e+00 4.16359787e+01 -1.08563654e+01 26 6.51149752e+00 -1.11454450e+01 2.41147987e+01 27 -4.59975150e+01 7.13593309e+01 2.28866368e+01 28 5.83007007e+01 -5.03597806e+01 1.45273012e+01 29 1.78069709e+01 3.48832997e+01 -1.63011930e+01 30 1.40158724e+01 -1.12346401e+01 -2.60578401e+01 31 -2.43992688e+01 2.38369623e+01 -2.04287316e+01 32 -3.11258944e+01 -2.33000838e+01 -8.31042076e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3449== Memcheck, a memory error detector ==3449== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==3449== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==3449== Command: python runner2.py TT_Modified_HellmannBichVogel_2007_He__MO_126942667206_002 ==3449== ==3449== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==3449== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==3449== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3449== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3449== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3449== by 0x4010732: call_init (dl-init.c:72) ==3449== by 0x4010732: _dl_init (dl-init.c:119) ==3449== by 0x40151FE: dl_open_worker (dl-open.c:522) ==3449== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==3449== by 0x40147C9: _dl_open (dl-open.c:605) ==3449== by 0x544CF95: dlopen_doit (dlopen.c:66) ==3449== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==3449== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==3449== by 0x544D734: _dlerror_run (dlerror.c:162) ==3449== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==3449== ==3449== ==3449== HEAP SUMMARY: ==3449== in use at exit: 4,605,208 bytes in 3,878 blocks ==3449== total heap usage: 115,218 allocs, 111,340 frees, 57,680,203 bytes allocated ==3449== ==3449== LEAK SUMMARY: ==3449== definitely lost: 0 bytes in 0 blocks ==3449== indirectly lost: 0 bytes in 0 blocks ==3449== possibly lost: 182,191 bytes in 111 blocks ==3449== still reachable: 4,423,017 bytes in 3,767 blocks ==3449== suppressed: 0 bytes in 0 blocks ==3449== Rerun with --leak-check=full to see details of leaked memory ==3449== ==3449== For counts of detected and suppressed errors, rerun with: -v ==3449== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 from 169) ================================================================================ 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.