!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Co__MO_247800397145_000 Supported species : Co random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.80340588973 Forces: 1 -7.71646631e+00 -6.43725128e+00 -1.00888572e+01 2 -9.59248103e+00 1.77829550e+01 -9.22148396e+00 3 3.99408773e-01 -1.04884274e+01 9.14357712e+00 4 -8.36758048e+00 6.06022419e+00 4.63561295e+00 5 1.62757845e+01 -1.88621508e+01 -4.98270373e+00 6 5.09733789e+00 7.04418648e-01 -6.93552074e+00 7 3.72388110e+00 -2.73932108e+01 -2.76452540e+01 8 -1.08634135e+01 -1.21222270e+01 3.07491994e+00 9 -5.80495534e+00 -8.95959503e+00 -1.36236423e+01 10 -4.74401171e+00 1.38512419e+01 -1.68983917e+01 11 -5.70371583e+00 -7.98556085e+00 2.95660884e+00 12 -7.85848378e+00 1.01720085e+01 7.81533854e+00 13 -1.05120654e+01 -8.45194920e+00 -4.13430079e+01 14 5.90930478e+00 8.10516310e+00 -4.93074012e+00 15 3.57069618e+01 -5.80665399e+00 1.14216927e+01 16 5.43662626e+00 2.79880349e+01 1.35081289e+01 17 -7.17398728e+00 -4.04314311e+00 -6.31456460e+00 18 2.65407103e-01 3.05382416e+00 7.50359353e+00 19 6.56342878e+00 -5.13001209e+00 5.34073672e+00 20 -2.78350050e+00 6.71238082e+00 4.32659691e+00 21 -1.23118069e+01 -9.42251236e+00 5.63941024e+00 22 1.64238397e+01 2.42675578e+01 2.01843026e+01 23 7.53926866e+00 -4.31308310e+00 6.48671245e+00 24 -6.48351055e+00 2.74607701e+00 3.11528393e+00 25 -1.17126882e+01 -7.76417812e+00 -3.96109384e+00 26 -5.34598511e+00 1.77689158e+01 -9.09328733e+00 27 1.61571797e+01 -3.33878927e+01 1.24776902e+01 28 -2.64601994e+01 2.45271836e+01 5.99034926e+00 29 -6.04988193e+00 -1.20088068e+01 5.64126153e+00 30 6.77612898e+00 1.19557655e+01 3.62010185e+00 31 1.49631958e+01 -5.68406182e+00 9.11140059e+00 32 8.24697936e+00 1.25649656e+01 1.30452286e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 25.1367396002 Forces: 1 4.58505833e+00 -9.44408972e+00 -1.09952913e+00 2 -1.77202112e+01 1.82538876e+01 2.57917300e+00 3 -5.62279515e-01 3.74541413e+00 1.54141812e+01 4 -1.30315936e+00 8.12864011e+00 1.15960485e+00 5 2.47760688e+01 -5.79814778e+00 -2.26477546e+00 6 4.03555398e-01 1.76447791e+01 1.89501773e+01 7 -1.97821557e+00 -2.45980870e+01 -2.96428523e+01 8 -1.06521373e+01 -1.22986642e+01 3.03286199e+00 9 -1.70948964e+01 -2.27903953e+01 1.68507450e+01 10 -1.22786135e+01 -3.82152615e+00 -1.19908096e+01 11 -5.91768840e+00 -7.82610588e+00 2.75790460e+00 12 7.68835903e+00 2.53000315e+00 1.71109038e+01 13 -9.89148530e+00 -1.00601320e+01 -3.57224919e+01 14 -1.30019292e+01 7.26102227e+00 -1.40317561e+01 15 3.22957462e+01 -7.40212345e+00 1.15720275e+01 16 7.35125314e+00 2.29967035e+01 1.45853549e+01 17 1.43890177e+01 -1.52045087e+01 -5.24190440e+00 18 1.72511560e-01 2.84072846e+00 7.66702800e+00 19 6.44145671e+00 6.38214009e+00 4.77439984e+00 20 1.64466208e+01 2.30400503e+01 -5.15093040e+00 21 -1.28066160e+01 -3.63807609e+00 6.33365766e+00 22 -1.76426083e+00 3.83987692e+01 1.87261402e+01 23 -1.20413143e+01 -2.83194624e+01 -9.15063924e+00 24 -5.49832675e+00 7.56983918e+00 -1.70510650e+01 25 -6.52631957e+00 -1.02952800e+01 -3.64635510e+00 26 -4.83339637e+00 8.49039984e+00 -1.37824847e+01 27 2.95112369e+01 -3.46495801e+01 -9.79247988e+00 28 -3.02022450e+01 2.99553591e+01 -6.58668060e+00 29 -5.83685191e+00 -1.18116717e+01 5.82480812e+00 30 -1.42335311e-01 6.18486516e+00 6.13833359e+00 31 1.32578317e+01 -6.26885608e+00 7.70523781e+00 32 1.27335656e+01 1.08041053e+01 3.97221450e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==9401== Memcheck, a memory error detector ==9401== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==9401== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==9401== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Co__MO_247800397145_000 ==9401== ==9401== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==9401== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==9401== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9401== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9401== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9401== by 0x4010732: call_init (dl-init.c:72) ==9401== by 0x4010732: _dl_init (dl-init.c:119) ==9401== by 0x40151FE: dl_open_worker (dl-open.c:522) ==9401== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9401== by 0x40147C9: _dl_open (dl-open.c:605) ==9401== by 0x544CF95: dlopen_doit (dlopen.c:66) ==9401== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9401== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==9401== by 0x544D734: _dlerror_run (dlerror.c:162) ==9401== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==9401== ==9401== ==9401== HEAP SUMMARY: ==9401== in use at exit: 5,877,101 bytes in 3,960 blocks ==9401== total heap usage: 114,082 allocs, 110,122 frees, 59,273,611 bytes allocated ==9401== ==9401== LEAK SUMMARY: ==9401== definitely lost: 0 bytes in 0 blocks ==9401== indirectly lost: 0 bytes in 0 blocks ==9401== possibly lost: 182,191 bytes in 111 blocks ==9401== still reachable: 5,694,910 bytes in 3,849 blocks ==9401== suppressed: 0 bytes in 0 blocks ==9401== Rerun with --leak-check=full to see details of leaked memory ==9401== ==9401== For counts of detected and suppressed errors, rerun with: -v ==9401== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2508 from 175) ================================================================================ 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.