!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_1987v2_Ag__MO_055919219575_000 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 -7.86921663e+00 -1.38880688e+01 -1.24850032e+01 2 -4.32757778e+00 5.92388327e+00 -1.48490319e+01 3 5.18639953e+00 -1.47462564e+01 -2.31439996e+00 4 -1.37889213e+01 5.41496809e+00 5.15309742e+00 5 9.06661211e-01 -1.95303578e+01 -9.62084627e+00 6 1.25529405e+01 2.43690806e+00 -1.46188643e+01 7 1.27353989e+01 -2.15711325e+01 -9.34135543e+00 8 -9.73896431e+00 -9.13038635e+00 4.45470982e+00 9 -9.58902735e+00 -1.13645776e+01 -2.12453184e+01 10 9.17551529e+00 2.01820060e+01 -1.67100959e+01 11 -1.44154087e+00 -1.24713738e+01 -6.16650944e+00 12 -2.10268508e+01 1.91066103e+01 7.58679387e+00 13 -5.73901629e+00 -4.57807254e+00 -3.42063265e+01 14 1.16936357e+01 1.36392682e+01 -1.10919008e+01 15 3.21140066e+01 -6.41588664e+00 2.96324650e+00 16 -3.25513816e-01 3.24469347e+01 1.84107866e+00 17 -2.16527126e+01 -1.34893291e+01 -4.80664258e+00 18 8.40067699e+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 5.57278298e+00 22 1.98527653e+01 1.36704572e+01 8.98265526e+00 23 7.04214466e+00 -4.23921697e+00 1.19822612e+01 24 8.80143706e-01 -3.50430872e+00 1.06263785e+01 25 -2.50292211e+01 -2.31036493e+00 1.00396439e+01 26 -4.74354132e+00 2.71488181e+01 -4.09749470e+00 27 6.75607498e-01 -1.77997970e+01 1.52642412e+01 28 -1.99878381e+01 1.58213178e+01 7.56700771e+00 29 -1.92466862e-01 -1.37404315e+01 8.07095022e+00 30 1.49061465e+01 1.69446947e+01 8.15510949e-01 31 1.84502997e+01 -7.26619443e+00 1.46254604e+01 32 6.03199329e+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 -9.29511974e+00 3.08037008e+00 2 -1.00400027e+01 3.77283733e+00 8.76412509e+00 3 4.60491592e+00 6.07649261e+00 1.10503277e+00 4 1.09505836e+01 1.13508040e+01 7.07665185e+00 5 2.74863294e+00 -6.35593489e+00 -4.03353906e+00 6 -1.53176772e+01 1.67134641e+01 -9.36060944e-01 7 -2.88899496e+00 -1.33763566e+01 -7.09129092e+00 8 -1.08822405e+01 -8.94535251e+00 5.48589355e+00 9 -9.61802324e+00 -2.23542513e+01 4.55164329e+00 10 1.02001973e+01 9.29024994e+00 -8.64137795e-01 11 -1.37385105e+00 -1.27571610e+01 -6.03043745e+00 12 -2.56522651e+00 5.77066496e+00 1.53612392e+01 13 -4.27734063e+00 -5.90385914e+00 -1.88273352e+01 14 -1.01548621e+01 5.14878456e+00 -1.10793368e+01 15 1.68482483e+01 -6.80873833e+00 4.07399249e+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 8.42749098e+00 2.29585813e+00 5.23916503e+00 20 8.66695353e+00 2.20521741e+01 -3.51893306e+00 21 -1.12403413e+01 2.43771435e+00 6.00746667e+00 22 -2.67466653e+00 2.26364777e+01 8.24603829e+00 23 -1.72102118e+01 -1.56043485e+01 -5.40803151e+00 24 7.89871641e+00 1.91470594e+00 -1.41401276e+01 25 -1.20518251e+01 -5.71117497e+00 9.67063546e+00 26 -3.02167656e+00 7.22179495e+00 -5.72137926e+00 27 8.38907071e+00 -2.13711141e+01 -9.35215144e+00 28 -1.80619997e+01 1.02653771e+01 -9.08152671e+00 29 -8.78142824e-02 -1.40319672e+01 8.14721505e+00 30 3.24033531e+00 2.63388074e+00 2.57242232e+00 31 1.07229476e+01 -9.43805163e+00 6.25855433e+00 32 1.00060486e+01 9.54538656e+00 5.97814236e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28148== Memcheck, a memory error detector ==28148== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==28148== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==28148== Command: python runner2.py EAM_Dynamo_AcklandTichyVitek_1987v2_Ag__MO_055919219575_000 ==28148== ==28148== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==28148== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==28148== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28148== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28148== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28148== by 0x4010732: call_init (dl-init.c:72) ==28148== by 0x4010732: _dl_init (dl-init.c:119) ==28148== by 0x40151FE: dl_open_worker (dl-open.c:522) ==28148== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28148== by 0x40147C9: _dl_open (dl-open.c:605) ==28148== by 0x544CF95: dlopen_doit (dlopen.c:66) ==28148== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28148== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==28148== by 0x544D734: _dlerror_run (dlerror.c:162) ==28148== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==28148== ==28148== ==28148== HEAP SUMMARY: ==28148== in use at exit: 9,967,833 bytes in 3,962 blocks ==28148== total heap usage: 114,193 allocs, 110,231 frees, 63,890,356 bytes allocated ==28148== ==28148== LEAK SUMMARY: ==28148== definitely lost: 0 bytes in 0 blocks ==28148== indirectly lost: 0 bytes in 0 blocks ==28148== possibly lost: 182,191 bytes in 111 blocks ==28148== still reachable: 9,785,642 bytes in 3,851 blocks ==28148== suppressed: 0 bytes in 0 blocks ==28148== Rerun with --leak-check=full to see details of leaked memory ==28148== ==28148== For counts of detected and suppressed errors, rerun with: -v ==28148== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2504 from 171) ================================================================================ 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.