!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 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 = -5.93891079468 Forces: 1 -9.77082582e+00 -7.78105123e+00 -1.31675229e+01 2 -7.42264275e+00 1.33967886e+01 -6.77030727e+00 3 8.43413984e+00 -7.02571677e+00 9.42764391e+00 4 -6.25640956e+00 8.03161126e+00 7.58664082e+00 5 4.32796562e+00 -1.77934120e+01 -2.63590018e+00 6 1.04606579e+01 7.08269585e+00 -9.74635817e+00 7 2.93208787e+00 -3.46256235e+01 -3.17604323e+01 8 -1.65412606e+01 -1.35216624e+01 6.39596223e+00 9 -6.55508462e+00 -9.07341281e+00 -1.36827191e+01 10 -6.36341472e+00 1.50323600e+01 -1.88556538e+01 11 -4.38567351e+00 -1.12890529e+01 5.70344656e+00 12 -7.21910740e+00 1.04449953e+01 6.60449300e+00 13 -1.39016461e+01 -1.12774692e+01 -4.73306921e+01 14 6.31755277e+00 9.14785127e+00 -5.21992374e+00 15 3.99921255e+01 -7.41126545e+00 1.48526141e+01 16 7.16249595e+00 2.97624536e+01 1.74627784e+01 17 -1.18015269e+01 -7.81023783e+00 -8.79665502e+00 18 8.64698205e+00 1.40317598e+01 -1.31134845e+01 19 8.74313114e+00 -1.54294096e+01 1.29566841e+01 20 -7.69047028e+00 8.34084869e+00 9.58146150e+00 21 -1.98449181e+01 -7.78236566e+00 2.34868029e+00 22 1.87450438e+01 3.08153020e+01 2.70712006e+01 23 7.70615889e+00 -6.45649725e-01 1.17733341e+01 24 -2.43955500e-01 -2.98954316e+00 3.85059719e+00 25 -1.23762233e+01 -8.92306934e+00 -4.44060776e+00 26 -5.90763314e+00 1.87245363e+01 -1.15904919e+01 27 2.02421315e+01 -3.96140959e+01 1.33509812e+01 28 -3.33508948e+01 3.12467288e+01 6.67234752e+00 29 -8.38627757e+00 -1.37706995e+01 3.09899816e+00 30 6.62258547e+00 1.32831389e+01 3.87283738e+00 31 1.80756137e+01 -7.36853139e+00 9.98766204e+00 32 9.60929268e+00 1.47911979e+01 1.45123857e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 13.8683937832 Forces: 1 1.05761838e+01 -1.62278632e+01 -3.49151584e+00 2 -2.43333941e+01 6.03790671e+00 1.62513369e+01 3 7.20916019e+00 7.59860752e+00 1.47208886e+01 4 3.72412500e-02 9.01700587e+00 2.88813811e+00 5 7.40573908e+00 -8.81191922e+00 1.36855342e+00 6 -7.89762228e+00 3.03699762e+01 1.45005684e+01 7 -1.57031464e+00 -3.10416633e+01 -3.26765168e+01 8 -1.50234000e+01 -1.41072410e+01 5.12325142e+00 9 -1.94787986e+01 -2.33213726e+01 2.29204746e+01 10 -1.20556066e+01 1.45294134e+00 -1.39034118e+01 11 -5.09941232e+00 -9.71730868e+00 4.02719848e+00 12 8.33713436e+00 2.20150758e+00 1.32339528e+01 13 -1.27682597e+01 -1.05974823e+01 -4.06443101e+01 14 -1.12009578e+01 6.42354763e+00 -1.32712751e+01 15 3.68422607e+01 -7.71920241e+00 1.39216707e+01 16 8.48038866e+00 2.62741905e+01 1.62873542e+01 17 1.15238521e+01 -2.06827525e+01 -3.73766308e+00 18 7.57455549e+00 1.26125427e+01 -1.17912027e+01 19 7.72186623e+00 -2.71313688e+00 1.40618897e+01 20 3.57977392e+00 1.76703286e+01 -1.02647495e+00 21 -1.88269853e+01 -2.60035170e+00 3.15530045e+00 22 -2.54836695e+00 4.49706275e+01 2.41817761e+01 23 -1.17007358e+00 -2.02173624e+01 -1.36205589e+01 24 1.64676082e+01 5.80967662e+00 -1.95690099e+01 25 -7.37283439e+00 -1.04427627e+01 -3.39768725e+00 26 -5.53888240e+00 8.84013456e+00 -1.53716726e+01 27 3.49282439e+01 -3.68830909e+01 -1.13795031e+01 28 -3.47176996e+01 3.68045931e+01 -7.78232151e+00 29 -7.69852451e+00 -1.23347512e+01 3.72309649e+00 30 -1.91501384e+00 7.32430820e+00 7.07395858e+00 31 1.61369820e+01 -7.64615207e+00 9.40392044e+00 32 1.23951567e+01 1.16565182e+01 4.81979423e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==31720== Memcheck, a memory error detector ==31720== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==31720== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==31720== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 ==31720== ==31720== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==31720== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==31720== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31720== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31720== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31720== by 0x4010732: call_init (dl-init.c:72) ==31720== by 0x4010732: _dl_init (dl-init.c:119) ==31720== by 0x40151FE: dl_open_worker (dl-open.c:522) ==31720== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31720== by 0x40147C9: _dl_open (dl-open.c:605) ==31720== by 0x544CF95: dlopen_doit (dlopen.c:66) ==31720== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31720== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==31720== by 0x544D734: _dlerror_run (dlerror.c:162) ==31720== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==31720== ==31720== ==31720== HEAP SUMMARY: ==31720== in use at exit: 5,078,353 bytes in 3,961 blocks ==31720== total heap usage: 113,086 allocs, 109,125 frees, 58,298,471 bytes allocated ==31720== ==31720== LEAK SUMMARY: ==31720== definitely lost: 0 bytes in 0 blocks ==31720== indirectly lost: 0 bytes in 0 blocks ==31720== possibly lost: 182,191 bytes in 111 blocks ==31720== still reachable: 4,896,162 bytes in 3,850 blocks ==31720== suppressed: 0 bytes in 0 blocks ==31720== Rerun with --leak-check=full to see details of leaked memory ==31720== ==31720== For counts of detected and suppressed errors, rerun with: -v ==31720== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2502 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.