!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2013Ta1_Ta__MO_816821594689_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 = -6.56204136997 Forces: 1 -5.85082824e+00 -1.52696906e+01 -1.22820671e+01 2 -4.93650598e+00 7.43729109e+00 -1.28960444e+01 3 3.05546221e+00 -1.51517477e+01 -3.39965933e+00 4 -1.18895320e+01 8.26410357e+00 7.07256915e+00 5 2.24508561e+00 -1.74623260e+01 -7.49384108e+00 6 1.03476516e+01 2.80481026e+00 -1.16807713e+01 7 1.03821769e+01 -2.45535032e+01 -1.53083735e+01 8 -9.76098155e+00 -1.03339363e+01 1.80401343e+00 9 -1.01542364e+01 -1.06007794e+01 -1.72373319e+01 10 9.42257013e+00 1.74851611e+01 -1.49194718e+01 11 2.83614919e+00 -1.15996709e+01 -1.27037000e+01 12 -1.77814556e+01 1.81606828e+01 4.07622720e+00 13 -8.93449556e+00 -4.93403460e+00 -3.78210281e+01 14 9.69152117e+00 1.13005454e+01 -8.63325130e+00 15 3.53389893e+01 -4.38069452e+00 5.18359700e+00 16 1.11485805e+00 3.27752173e+01 1.59991509e+00 17 -1.89063064e+01 -1.16831416e+01 -4.70646453e+00 18 5.62308564e+00 7.88988438e+00 1.88985218e+00 19 7.07874770e+00 -1.42843350e+01 1.14594390e+01 20 -9.43915374e+00 8.38414932e+00 1.07302473e+01 21 -1.05912351e+01 -1.35734066e+01 6.74394114e+00 22 1.99807405e+01 1.66544123e+01 1.32102344e+01 23 5.70181734e+00 -3.39057059e+00 1.02259219e+01 24 1.73141957e+00 -1.87871092e-02 8.96051784e+00 25 -2.80877456e+01 -5.23024584e+00 1.63346582e+01 26 -5.80407121e+00 2.60095489e+01 -3.95323698e+00 27 3.02994387e+00 -2.30852083e+01 1.45765642e+01 28 -2.20160739e+01 1.68051195e+01 5.51187056e+00 29 -4.00853419e-01 -1.19960514e+01 9.94691511e+00 30 1.22368697e+01 1.63519955e+01 1.35695042e+00 31 1.69401840e+01 -8.96083928e+00 1.46238141e+01 32 7.79620226e+00 1.61860475e+01 1.77279931e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 454.049055254 Forces: 1 1.66137507e+01 -1.79734031e+01 1.93519067e+00 2 -1.73496913e+01 6.49383115e+00 1.70467529e+01 3 3.00983835e+00 4.42851939e+00 -8.20430699e-01 4 1.01660046e+01 1.47452349e+01 1.00718350e+01 5 5.75625625e+00 -7.01444711e+00 -2.05022261e+00 6 -2.22388707e+01 2.17998689e+01 3.51880985e+00 7 -3.45948758e+00 -1.76030045e+01 -1.42728467e+01 8 -1.11560159e+01 -9.22854850e+00 3.19852146e+00 9 -1.33606893e+01 -2.28024010e+01 1.00838338e+01 10 9.50832731e+00 8.29659983e+00 -2.26133018e+00 11 4.87412881e+00 -1.20818278e+01 -1.26976918e+01 12 -1.94526054e+00 8.50680481e+00 8.32532701e+00 13 -8.75222713e+00 -8.36005078e+00 -2.47837309e+01 14 -7.63261239e+00 5.79128999e+00 -1.06502296e+01 15 2.15631825e+01 -6.22716740e+00 5.63426884e+00 16 2.28293702e+00 1.88823151e+01 5.22712805e+00 17 5.76053929e+00 -1.49364935e+01 -4.56054380e+00 18 8.85331210e+00 9.73689072e+00 1.73884849e+00 19 5.48333214e+00 1.60341696e+00 7.34441342e+00 20 1.36470004e+01 2.38258075e+01 -7.18092690e+00 21 -1.11184091e+01 1.27198514e-01 7.84105856e+00 22 -1.26324280e+00 2.89205428e+01 1.17735447e+01 23 -1.96817342e+01 -2.19039080e+01 -9.92953313e+00 24 1.63871020e+01 6.72597338e+00 -2.19528346e+01 25 -1.48852973e+01 -9.86753785e+00 1.55633218e+01 26 -2.38975435e+00 6.32206557e+00 -5.83567672e+00 27 1.41817358e+01 -2.61534658e+01 -9.96684763e+00 28 -2.16964116e+01 1.68609208e+01 -9.98117718e+00 29 -1.52778113e+00 -1.31382508e+01 9.30640642e+00 30 4.92988379e-01 5.09671703e+00 3.89263349e+00 31 1.03596206e+01 -1.17256056e+01 7.64195071e+00 32 9.51742909e+00 1.08521143e+01 6.80017724e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==6043== Memcheck, a memory error detector ==6043== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==6043== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==6043== Command: python runner2.py EAM_Dynamo_RaveloGermannGuerrero_2013Ta1_Ta__MO_816821594689_000 ==6043== ==6043== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==6043== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==6043== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==6043== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==6043== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==6043== by 0x4010732: call_init (dl-init.c:72) ==6043== by 0x4010732: _dl_init (dl-init.c:119) ==6043== by 0x40151FE: dl_open_worker (dl-open.c:522) ==6043== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==6043== by 0x40147C9: _dl_open (dl-open.c:605) ==6043== by 0x544CF95: dlopen_doit (dlopen.c:66) ==6043== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==6043== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==6043== by 0x544D734: _dlerror_run (dlerror.c:162) ==6043== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==6043== ==6043== ==6043== HEAP SUMMARY: ==6043== in use at exit: 7,410,215 bytes in 3,961 blocks ==6043== total heap usage: 114,082 allocs, 110,121 frees, 60,997,759 bytes allocated ==6043== ==6043== LEAK SUMMARY: ==6043== definitely lost: 0 bytes in 0 blocks ==6043== indirectly lost: 0 bytes in 0 blocks ==6043== possibly lost: 182,191 bytes in 111 blocks ==6043== still reachable: 7,228,024 bytes in 3,850 blocks ==6043== suppressed: 0 bytes in 0 blocks ==6043== Rerun with --leak-check=full to see details of leaked memory ==6043== ==6043== For counts of detected and suppressed errors, rerun with: -v ==6043== 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.