!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_1959MedCutoff_Ag__MO_861893969202_002 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 = 327.60650068 Forces: 1 -1.08762055e+01 -1.91884538e+01 -2.07234069e+01 2 -8.36412637e+00 1.24025332e+01 -1.91703919e+01 3 1.27801817e+01 -3.39011078e+01 -1.40473180e+01 4 -2.51206049e+01 1.28300022e+01 1.13578241e+00 5 -2.69571552e+00 -3.16043329e+01 -1.03976816e+01 6 2.00701413e+01 1.14781091e+01 -2.17660880e+01 7 1.90941357e+01 -5.44521653e+01 -3.71337603e+01 8 -2.69187090e+01 -2.05613729e+01 -3.18947202e+00 9 -2.03833121e+01 -1.47886203e+01 -3.48680187e+01 10 -8.32927213e+00 3.82498981e+01 -3.96834254e+01 11 -7.55280424e+00 -2.60125604e+01 5.94633821e+00 12 -2.46793481e+01 3.30050866e+01 4.35189585e+00 13 -1.05893830e+01 -2.63410506e+01 -7.80873953e+01 14 1.91419842e+01 2.28261427e+01 -1.58775657e+01 15 7.23720025e+01 -9.41817265e+00 1.58412020e+01 16 9.77124646e+00 6.12058152e+01 2.44186225e+01 17 -3.72824253e+01 -2.38346681e+01 -5.31921463e+00 18 2.07340859e+01 2.69151381e+01 1.64860130e+01 19 9.18070109e+00 -2.81838968e+01 1.61281578e+01 20 -1.52848536e+01 1.68162525e+01 1.85028854e+01 21 -2.28538655e+01 -2.51108305e+01 1.50661363e+01 22 4.19831366e+01 4.16825946e+01 2.85454674e+01 23 1.14429145e+01 -6.64511552e+00 2.34284305e+01 24 5.40086128e+00 1.22518963e+01 1.27372647e+01 25 -2.87974966e+01 -1.13389766e+01 1.76436020e+01 26 -1.16319439e+01 4.19614591e+01 -1.68784258e+01 27 1.75012107e+01 -5.81046272e+01 2.50277404e+01 28 -5.05611050e+01 4.15822272e+01 1.22092041e+01 29 -1.51494199e+01 -2.36612229e+01 1.75568608e+01 30 2.12112224e+01 3.13300735e+01 -2.15608721e+00 31 2.98823911e+01 -2.18118467e+01 3.02399960e+01 32 1.65043753e+01 3.04217924e+01 3.40326519e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 483.364549379 Forces: 1 5.39400136e+01 -3.98023476e+01 1.19853366e+01 2 -5.28170154e+01 1.42204298e+01 6.21759720e+01 3 1.07691093e+01 -1.86369909e+00 -1.07870402e+01 4 1.69043314e+01 2.49534694e+01 -1.27712906e+01 5 7.57218464e+00 -8.71537810e+00 -3.05242664e-01 6 -5.73745781e+01 6.69870860e+01 6.99124837e+01 7 -5.60528415e+00 -4.88752429e+01 -3.64187145e+01 8 -2.73780569e+01 -2.13059083e+01 -3.57199806e+00 9 -3.44505822e+01 -4.08572960e+01 2.57963726e+01 10 -1.87631038e+01 2.02509352e+01 -1.57900851e+01 11 -8.60849751e+00 -2.55962205e+01 5.74694842e+00 12 5.48355728e+00 1.27004529e+01 1.64273402e+01 13 -7.80048975e+00 -3.08547504e+01 -6.06014530e+01 14 -1.56445053e+01 9.92324535e+00 -2.54266083e+01 15 5.37305067e+01 -9.03207614e+00 1.49288992e+01 16 1.29486463e+01 4.14175020e+01 2.62966116e+01 17 1.19936217e+01 -3.69808260e+01 -3.86838901e+00 18 2.29293904e+01 2.61002572e+01 1.66573442e+01 19 9.47011132e+00 3.70652922e+00 9.85606002e+00 20 6.72184153e+01 6.69115355e+01 -1.08589182e+01 21 -2.38211870e+01 -2.84691482e+00 1.62900649e+01 22 -8.36370805e+00 6.34771693e+01 3.71793437e+01 23 -6.54829902e+01 -6.72853879e+01 -7.59449413e+01 24 5.18999433e+01 1.99808699e+01 -6.87685260e+01 25 -1.05406610e+01 -1.66509034e+01 1.72054501e+01 26 -8.67403561e+00 1.05558612e+01 -2.11048570e+01 27 3.88229678e+01 -6.05446627e+01 -2.24419418e+01 28 -5.08481946e+01 4.40406615e+01 -1.35953572e+01 29 -1.41505472e+01 -2.30252717e+01 1.85335796e+01 30 1.78051482e-02 1.20589782e+01 3.36386116e+00 31 2.08091091e+01 -2.47981038e+01 2.14784425e+01 32 2.58137236e+01 2.17500065e+01 8.42125255e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==23472== Memcheck, a memory error detector ==23472== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==23472== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==23472== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_002 ==23472== ==23472== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==23472== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==23472== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==23472== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==23472== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==23472== by 0x4010732: call_init (dl-init.c:72) ==23472== by 0x4010732: _dl_init (dl-init.c:119) ==23472== by 0x40151FE: dl_open_worker (dl-open.c:522) ==23472== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==23472== by 0x40147C9: _dl_open (dl-open.c:605) ==23472== by 0x544CF95: dlopen_doit (dlopen.c:66) ==23472== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==23472== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==23472== by 0x544D734: _dlerror_run (dlerror.c:162) ==23472== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==23472== ==23472== ==23472== HEAP SUMMARY: ==23472== in use at exit: 4,644,514 bytes in 3,908 blocks ==23472== total heap usage: 120,673 allocs, 116,765 frees, 58,643,405 bytes allocated ==23472== ==23472== LEAK SUMMARY: ==23472== definitely lost: 0 bytes in 0 blocks ==23472== indirectly lost: 0 bytes in 0 blocks ==23472== possibly lost: 182,191 bytes in 111 blocks ==23472== still reachable: 4,462,323 bytes in 3,797 blocks ==23472== suppressed: 0 bytes in 0 blocks ==23472== Rerun with --leak-check=full to see details of leaked memory ==23472== ==23472== For counts of detected and suppressed errors, rerun with: -v ==23472== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 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.