!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_002 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 75.2134141476 Forces: 1 -3.90831947e+00 -8.85986176e+00 -9.47736603e+00 2 -5.77289147e+00 7.79249434e+00 -6.09927222e+00 3 6.84075402e+00 -1.50919824e+01 -8.59237907e+00 4 -7.62708082e+00 7.03401951e+00 4.44174842e+00 5 3.18012936e+00 -1.39381157e+01 -1.97842419e+00 6 6.91592253e+00 4.73575463e+00 -6.79190019e+00 7 5.75215340e+00 -2.82594685e+01 -2.55142650e+01 8 -1.42389000e+01 -1.14342553e+01 -1.14608699e+00 9 -1.19029772e+01 -8.14818825e+00 -1.85366069e+01 10 -4.04807355e+00 2.08967885e+01 -2.04913230e+01 11 -4.07042546e+00 -1.62626743e+01 1.19881940e+01 12 -1.04590381e+01 1.55502361e+01 3.08893880e+00 13 -5.59524340e+00 -1.32549716e+01 -4.14393560e+01 14 8.21694392e+00 1.05180134e+01 -6.70689416e+00 15 3.71948065e+01 -4.89888247e+00 1.12431916e+01 16 4.62983803e+00 2.95807919e+01 1.52303799e+01 17 -1.47673802e+01 -7.25630529e+00 -4.47806549e+00 18 4.82855830e+00 1.46876238e+01 7.44550393e+00 19 4.77293927e+00 -1.28231645e+01 6.57331518e+00 20 -5.33578606e+00 9.34520972e+00 6.64192220e+00 21 -1.22732647e+01 -1.10433169e+01 7.55896088e+00 22 1.91935809e+01 2.46831658e+01 1.56630113e+01 23 4.25557209e+00 -2.41117308e+00 1.05805807e+01 24 3.09157771e+00 7.30591466e+00 4.62440135e+00 25 -9.45439656e+00 -9.04927782e+00 7.07402579e+00 26 -5.97141767e+00 1.89508403e+01 -1.08261547e+01 27 1.14266257e+01 -3.32646347e+01 1.06794231e+01 28 -2.64908409e+01 2.20546145e+01 4.79776940e+00 29 -9.45343062e+00 -1.36052354e+01 6.70590043e+00 30 8.56514407e+00 1.45266214e+01 -2.05371928e+00 31 1.40455904e+01 -1.25766387e+01 1.40319922e+01 32 8.45933001e+00 1.45160581e+01 1.57625541e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 63.0411056888 Forces: 1 1.95188270e+01 -1.87990423e+01 4.66185715e+00 2 -3.26932758e+01 7.86639216e+00 3.75365855e+01 3 5.13614975e+00 -1.50109521e+00 -7.40944094e+00 4 1.28069267e+01 1.23487710e+01 -2.47714586e+00 5 1.02540521e+01 -1.02820295e+01 7.10340873e+00 6 -2.36895594e+01 3.43104770e+01 3.02381310e+01 7 -4.85023131e+00 -2.78965703e+01 -2.57960877e+01 8 -1.33961448e+01 -1.24195089e+01 -2.15297123e+00 9 -2.15921268e+01 -2.14857260e+01 1.29047095e+01 10 -1.01686183e+01 1.40286955e+01 -8.65025461e+00 11 -5.35198695e+00 -1.52608835e+01 1.09328549e+01 12 3.52770904e+00 7.08639447e+00 9.44236556e+00 13 -3.56412236e+00 -1.48195819e+01 -3.47659691e+01 14 -9.05432527e+00 6.95041944e+00 -1.34040235e+01 15 3.01856550e+01 -4.04779079e+00 1.00529293e+01 16 6.79910850e+00 2.43305161e+01 1.41914093e+01 17 9.77965729e+00 -1.70431082e+01 -3.09958249e+00 18 3.92434720e+00 1.31591490e+01 8.09120504e+00 19 3.05617209e+00 1.56933766e+00 4.55574278e+00 20 4.05996924e+01 3.60125050e+01 -7.82220845e+00 21 -1.19673006e+01 -2.48226769e+00 8.59842717e+00 22 -4.13068109e+00 3.59950142e+01 2.07194923e+01 23 -3.77758915e+01 -4.11525264e+01 -2.94201907e+01 24 2.93257964e+01 1.52411811e+01 -4.23547236e+01 25 -2.69563899e+00 -1.09723020e+01 7.19246038e+00 26 -5.05944716e+00 5.17240782e+00 -1.24945767e+01 27 2.28485554e+01 -3.35188628e+01 -1.28338711e+01 28 -2.83463464e+01 2.58271387e+01 -7.64498695e+00 29 -8.25988081e+00 -1.24065968e+01 7.83009015e+00 30 -1.85764284e-01 6.83017290e+00 1.17286223e+00 31 1.14774240e+01 -1.30485895e+01 1.13585690e+01 32 1.35412688e+01 1.04079098e+01 3.74293294e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==19614== Memcheck, a memory error detector ==19614== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==19614== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==19614== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_002 ==19614== ==19614== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==19614== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==19614== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==19614== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==19614== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==19614== by 0x4010732: call_init (dl-init.c:72) ==19614== by 0x4010732: _dl_init (dl-init.c:119) ==19614== by 0x40151FE: dl_open_worker (dl-open.c:522) ==19614== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==19614== by 0x40147C9: _dl_open (dl-open.c:605) ==19614== by 0x544CF95: dlopen_doit (dlopen.c:66) ==19614== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==19614== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==19614== by 0x544D734: _dlerror_run (dlerror.c:162) ==19614== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==19614== ==19614== ==19614== HEAP SUMMARY: ==19614== in use at exit: 4,522,778 bytes in 3,908 blocks ==19614== total heap usage: 116,437 allocs, 112,529 frees, 58,149,193 bytes allocated ==19614== ==19614== LEAK SUMMARY: ==19614== definitely lost: 0 bytes in 0 blocks ==19614== indirectly lost: 0 bytes in 0 blocks ==19614== possibly lost: 182,191 bytes in 111 blocks ==19614== still reachable: 4,340,587 bytes in 3,797 blocks ==19614== suppressed: 0 bytes in 0 blocks ==19614== Rerun with --leak-check=full to see details of leaked memory ==19614== ==19614== For counts of detected and suppressed errors, rerun with: -v ==19614== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2507 from 173) ================================================================================ 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.