!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AcklandTichyVitek_1987_Ag__MO_212700056563_005 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 = 170.1769806 Forces: 1 -7.86921664e+00 -1.38880688e+01 -1.24850032e+01 2 -4.32757778e+00 5.92388328e+00 -1.48490319e+01 3 5.18639952e+00 -1.47462564e+01 -2.31439995e+00 4 -1.37889213e+01 5.41496809e+00 5.15309741e+00 5 9.06661203e-01 -1.95303578e+01 -9.62084628e+00 6 1.25529405e+01 2.43690805e+00 -1.46188643e+01 7 1.27353989e+01 -2.15711325e+01 -9.34135543e+00 8 -9.73896431e+00 -9.13038633e+00 4.45470984e+00 9 -9.58902738e+00 -1.13645777e+01 -2.12453184e+01 10 9.17551530e+00 2.01820060e+01 -1.67100959e+01 11 -1.44154085e+00 -1.24713738e+01 -6.16650944e+00 12 -2.10268508e+01 1.91066103e+01 7.58679387e+00 13 -5.73901628e+00 -4.57807254e+00 -3.42063264e+01 14 1.16936357e+01 1.36392682e+01 -1.10919008e+01 15 3.21140066e+01 -6.41588664e+00 2.96324650e+00 16 -3.25513814e-01 3.24469347e+01 1.84107866e+00 17 -2.16527126e+01 -1.34893291e+01 -4.80664258e+00 18 8.40067698e+00 8.97364526e+00 -1.82912762e+00 19 7.81890226e+00 -1.66520416e+01 1.41287651e+01 20 -1.24537042e+01 8.43657767e+00 1.43324665e+01 21 -1.05171242e+01 -1.40658577e+01 5.57278296e+00 22 1.98527653e+01 1.36704572e+01 8.98265526e+00 23 7.04214467e+00 -4.23921696e+00 1.19822613e+01 24 8.80143702e-01 -3.50430871e+00 1.06263785e+01 25 -2.50292211e+01 -2.31036493e+00 1.00396439e+01 26 -4.74354130e+00 2.71488181e+01 -4.09749472e+00 27 6.75607478e-01 -1.77997970e+01 1.52642412e+01 28 -1.99878382e+01 1.58213178e+01 7.56700771e+00 29 -1.92466859e-01 -1.37404315e+01 8.07095021e+00 30 1.49061465e+01 1.69446946e+01 8.15510946e-01 31 1.84502997e+01 -7.26619443e+00 1.46254604e+01 32 6.03199330e+00 1.66175651e+01 1.93758667e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 362.054812968 Forces: 1 1.26861712e+01 -9.29511977e+00 3.08037009e+00 2 -1.00400027e+01 3.77283735e+00 8.76412509e+00 3 4.60491591e+00 6.07649260e+00 1.10503277e+00 4 1.09505836e+01 1.13508039e+01 7.07665184e+00 5 2.74863294e+00 -6.35593489e+00 -4.03353907e+00 6 -1.53176772e+01 1.67134641e+01 -9.36060953e-01 7 -2.88899496e+00 -1.33763566e+01 -7.09129091e+00 8 -1.08822405e+01 -8.94535250e+00 5.48589357e+00 9 -9.61802326e+00 -2.23542513e+01 4.55164327e+00 10 1.02001973e+01 9.29024997e+00 -8.64137786e-01 11 -1.37385103e+00 -1.27571610e+01 -6.03043745e+00 12 -2.56522652e+00 5.77066496e+00 1.53612392e+01 13 -4.27734062e+00 -5.90385913e+00 -1.88273352e+01 14 -1.01548621e+01 5.14878456e+00 -1.10793368e+01 15 1.68482482e+01 -6.80873833e+00 4.07399248e+00 16 1.06172409e+00 1.69661885e+01 3.09305173e+00 17 3.78229352e+00 -1.35686027e+01 -6.73382288e+00 18 1.12324243e+01 9.42917693e+00 -1.89352887e+00 19 8.42749100e+00 2.29585812e+00 5.23916502e+00 20 8.66695354e+00 2.20521741e+01 -3.51893308e+00 21 -1.12403413e+01 2.43771434e+00 6.00746666e+00 22 -2.67466654e+00 2.26364777e+01 8.24603829e+00 23 -1.72102118e+01 -1.56043485e+01 -5.40803149e+00 24 7.89871639e+00 1.91470593e+00 -1.41401276e+01 25 -1.20518251e+01 -5.71117497e+00 9.67063545e+00 26 -3.02167655e+00 7.22179496e+00 -5.72137928e+00 27 8.38907069e+00 -2.13711141e+01 -9.35215141e+00 28 -1.80619997e+01 1.02653771e+01 -9.08152669e+00 29 -8.78142792e-02 -1.40319672e+01 8.14721505e+00 30 3.24033531e+00 2.63388073e+00 2.57242233e+00 31 1.07229476e+01 -9.43805163e+00 6.25855433e+00 32 1.00060486e+01 9.54538657e+00 5.97814236e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==27609== Memcheck, a memory error detector ==27609== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==27609== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==27609== Command: python runner2.py EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005 ==27609== ==27609== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==27609== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==27609== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==27609== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==27609== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==27609== by 0x4010732: call_init (dl-init.c:72) ==27609== by 0x4010732: _dl_init (dl-init.c:119) ==27609== by 0x40151FE: dl_open_worker (dl-open.c:522) ==27609== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==27609== by 0x40147C9: _dl_open (dl-open.c:605) ==27609== by 0x544CF95: dlopen_doit (dlopen.c:66) ==27609== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==27609== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==27609== by 0x544D734: _dlerror_run (dlerror.c:162) ==27609== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==27609== ==27609== ==27609== HEAP SUMMARY: ==27609== in use at exit: 9,967,821 bytes in 3,962 blocks ==27609== total heap usage: 114,193 allocs, 110,231 frees, 63,890,302 bytes allocated ==27609== ==27609== LEAK SUMMARY: ==27609== definitely lost: 0 bytes in 0 blocks ==27609== indirectly lost: 0 bytes in 0 blocks ==27609== possibly lost: 182,191 bytes in 111 blocks ==27609== still reachable: 9,785,630 bytes in 3,851 blocks ==27609== suppressed: 0 bytes in 0 blocks ==27609== Rerun with --leak-check=full to see details of leaked memory ==27609== ==27609== For counts of detected and suppressed errors, rerun with: -v ==27609== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2502 from 170) ================================================================================ 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.