!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Au__MO_559016907324_000 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 219.186401984 Forces: 1 -1.65081236e+01 -3.30143151e+01 -3.71221132e+01 2 -1.11993716e+01 1.86221597e+01 -2.94288583e+01 3 1.43143531e+01 -2.85199298e+01 -3.22469769e-01 4 -2.46423445e+01 2.96617334e+01 1.85709440e+01 5 1.98992046e+01 -3.85390551e+01 -7.79622993e+00 6 1.29936708e+01 -6.08066330e+00 -1.79268647e+01 7 1.88779448e+01 -5.95940137e+01 -5.36833845e+01 8 -3.74467586e+01 -3.53041001e+01 -3.58712935e+00 9 -2.60381749e+01 -1.07151123e+01 -3.98542886e+01 10 -9.41035738e+00 4.55490188e+01 -4.47678435e+01 11 -2.28313749e+01 -2.77799275e+01 2.29474124e+01 12 -2.57242365e+01 2.45158159e+01 1.44411807e+01 13 -4.35592941e+00 -1.37417423e+01 -8.67285963e+01 14 1.67468591e+01 1.76752742e+01 -1.22737621e+01 15 8.60778601e+01 9.52764513e+00 1.30625030e+01 16 1.37413743e+01 6.62116837e+01 2.36245434e+01 17 -4.05623881e+01 -2.13933143e+01 1.50443948e-01 18 1.55540947e+01 1.77475217e+01 -5.90011442e+00 19 1.13709914e+01 -2.44442201e+01 2.48284892e+01 20 -1.74399215e+01 3.90538662e+00 2.02628191e+01 21 -2.05519596e+01 -2.56415067e+01 1.82407679e+01 22 4.83741375e+01 3.28928539e+01 4.56974454e+01 23 7.26749517e+00 -4.76791829e+00 1.09247301e+01 24 5.01768856e+00 -1.27208791e+00 1.58121518e+01 25 -3.88894337e+01 -1.39371718e+01 -3.07353476e+01 26 -1.10038479e+01 4.76825356e+01 -1.76145020e+01 27 2.90296203e+01 -5.24423517e+01 4.53034629e+01 28 -5.47792003e+01 5.41448270e+01 2.49628886e+01 29 -1.26206263e+01 -1.62241337e+01 2.24015526e+01 30 2.23307752e+01 2.71577463e+01 1.40906010e+00 31 3.30896222e+01 -1.36328908e+01 2.91574310e+01 32 1.93183569e+01 3.17502526e+01 3.59436783e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==31521== Memcheck, a memory error detector ==31521== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==31521== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==31521== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_000 ==31521== ==31521== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==31521== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==31521== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31521== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31521== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31521== by 0x4010732: call_init (dl-init.c:72) ==31521== by 0x4010732: _dl_init (dl-init.c:119) ==31521== by 0x40151FE: dl_open_worker (dl-open.c:522) ==31521== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31521== by 0x40147C9: _dl_open (dl-open.c:605) ==31521== by 0x544CF95: dlopen_doit (dlopen.c:66) ==31521== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31521== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==31521== by 0x544D734: _dlerror_run (dlerror.c:162) ==31521== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==31521== ==31521== ==31521== HEAP SUMMARY: ==31521== in use at exit: 5,108,413 bytes in 3,958 blocks ==31521== total heap usage: 110,772 allocs, 106,814 frees, 58,364,241 bytes allocated ==31521== ==31521== LEAK SUMMARY: ==31521== definitely lost: 0 bytes in 0 blocks ==31521== indirectly lost: 0 bytes in 0 blocks ==31521== possibly lost: 182,191 bytes in 111 blocks ==31521== still reachable: 4,926,222 bytes in 3,847 blocks ==31521== suppressed: 0 bytes in 0 blocks ==31521== Rerun with --leak-check=full to see details of leaked memory ==31521== ==31521== For counts of detected and suppressed errors, rerun with: -v ==31521== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 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.