!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_000 Supported species : Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 68.4307010575 Forces: 1 -8.66012834e+00 -1.45302922e+01 -1.57868196e+01 2 -9.95535978e+00 6.30941563e+00 -1.88540764e+01 3 4.43899017e+00 -2.23966584e+01 -6.95844802e+00 4 -1.38956907e+01 9.77546787e+00 8.10693959e+00 5 1.35959114e+00 -2.64801271e+01 -1.16455292e+01 6 1.49747068e+01 4.03030295e+00 -1.77325154e+01 7 1.79616324e+01 -3.45555047e+01 -2.09786908e+01 8 -9.20024782e+00 -1.37323216e+01 5.91771225e+00 9 -1.77804286e+01 -1.26145816e+01 -2.77105079e+01 10 -6.48130320e+00 3.68012271e+01 -2.99573942e+01 11 -1.87640725e+01 -2.00207010e+01 1.46607375e+01 12 -1.95775118e+01 2.17305898e+01 8.86706146e+00 13 1.40621598e+00 -1.26456349e+01 -5.86778493e+01 14 1.29128097e+01 2.10587195e+01 -1.69955190e+01 15 4.81884747e+01 -1.45244481e+01 9.02789888e+00 16 7.33058090e+00 4.83265380e+01 1.60989683e+01 17 -2.21367974e+01 -1.07055183e+01 -6.82526972e+00 18 -7.07766618e+00 1.34032446e+01 6.82737199e+00 19 6.45878390e+00 -2.17462788e+01 1.37246671e+01 20 -9.80433415e+00 1.38061320e+01 1.19799048e+01 21 -1.28139212e+01 -2.53644546e+01 8.63342923e+00 22 2.73739113e+01 2.75887607e+01 1.64262809e+01 23 9.63761751e+00 -5.05257469e+00 1.52166089e+01 24 4.19006411e+00 9.35229794e+00 1.62162469e+01 25 -2.38817513e+01 -1.54818782e+01 -2.01340684e+00 26 -7.69523928e+00 3.56622196e+01 -1.35113538e+01 27 8.13824775e+00 -3.74478497e+01 2.54394837e+01 28 -3.07873066e+01 2.71374998e+01 1.31328858e+01 29 -1.46683519e+00 -1.92336473e+01 6.67224073e+00 30 1.72749910e+01 1.94142667e+01 6.56894335e+00 31 2.54796004e+01 -1.19994691e+01 1.80450238e+01 32 1.28523764e+01 2.41352582e+01 2.60849749e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 487.06331489 Forces: 1 2.42819828e+01 -2.06228079e+01 7.12327345e+00 2 -2.63811515e+01 1.07074654e+01 1.97783492e+01 3 2.89758073e+00 4.71915770e+00 -3.84641561e+00 4 2.09460292e+01 1.89685348e+01 1.21091884e+00 5 9.07810021e+00 -1.02008811e+01 -1.15533279e+00 6 -2.24725715e+01 3.31764044e+01 5.93555545e+00 7 -4.91474255e+00 -2.57123611e+01 -2.17399617e+01 8 -9.28996158e+00 -1.32483797e+01 6.10938447e+00 9 -2.22816994e+01 -3.11640331e+01 1.21586958e+01 10 -1.34572880e+01 2.26102244e+01 -1.13219893e+01 11 -1.87626378e+01 -1.97748033e+01 1.41979348e+01 12 8.56190657e+00 7.04245677e+00 1.24463820e+01 13 2.54434117e+00 -1.82016938e+01 -4.12410732e+01 14 -1.29026116e+01 1.31329464e+01 -2.11218014e+01 15 3.13438180e+01 -1.59362574e+01 8.38751728e+00 16 9.42442630e+00 3.05542426e+01 1.96340727e+01 17 1.49917249e+01 -1.85074145e+01 -6.10772746e+00 18 -6.18111321e+00 1.41433166e+01 6.51136075e+00 19 4.31657995e+00 1.39886074e+00 9.17645086e+00 20 2.49057499e+01 3.74856414e+01 -1.19669642e+01 21 -1.18093084e+01 -7.84008167e+00 1.10293026e+01 22 -6.61445117e+00 4.32135436e+01 2.14099390e+01 23 -2.84436555e+01 -3.31566827e+01 -1.14583710e+01 24 2.19156499e+01 1.63030369e+01 -2.58183059e+01 25 -8.71681770e+00 -2.15175610e+01 -2.50542184e+00 26 -4.26091008e+00 8.78383621e+00 -1.68125578e+01 27 2.07638404e+01 -4.06050126e+01 -9.31498011e+00 28 -3.12657087e+01 2.81207071e+01 -7.24919632e+00 29 -1.16517437e+00 -1.97995277e+01 5.74577024e+00 30 -2.38442443e+00 3.63686985e+00 1.35568450e+01 31 1.55721672e+01 -1.56955639e+01 1.15490754e+01 32 1.97603302e+01 1.79858168e+01 5.69927093e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==6231== Memcheck, a memory error detector ==6231== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==6231== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==6231== Command: python runner2.py EAM_Dynamo_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_000 ==6231== ==6231== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==6231== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==6231== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==6231== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==6231== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==6231== by 0x4010732: call_init (dl-init.c:72) ==6231== by 0x4010732: _dl_init (dl-init.c:119) ==6231== by 0x40151FE: dl_open_worker (dl-open.c:522) ==6231== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==6231== by 0x40147C9: _dl_open (dl-open.c:605) ==6231== by 0x544CF95: dlopen_doit (dlopen.c:66) ==6231== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==6231== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==6231== by 0x544D734: _dlerror_run (dlerror.c:162) ==6231== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==6231== ==6231== ==6231== HEAP SUMMARY: ==6231== in use at exit: 7,413,639 bytes in 3,961 blocks ==6231== total heap usage: 114,082 allocs, 110,121 frees, 61,001,279 bytes allocated ==6231== ==6231== LEAK SUMMARY: ==6231== definitely lost: 0 bytes in 0 blocks ==6231== indirectly lost: 0 bytes in 0 blocks ==6231== possibly lost: 182,191 bytes in 111 blocks ==6231== still reachable: 7,231,448 bytes in 3,850 blocks ==6231== suppressed: 0 bytes in 0 blocks ==6231== Rerun with --leak-check=full to see details of leaked memory ==6231== ==6231== For counts of detected and suppressed errors, rerun with: -v ==6231== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 from 173) ================================================================================ 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.