!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_1987_Cu__MO_179025990738_005 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -33.8325486486 Forces: 1 -1.61087270e+00 -3.24204852e+00 -3.49586221e+00 2 -2.48096977e+00 1.77570997e+00 -4.05792273e+00 3 2.46555507e+00 -2.58064700e+00 -3.43166917e-01 4 -2.48317631e+00 2.37949215e+00 2.21201233e+00 5 2.16381425e-01 -6.35080388e+00 -2.63564340e+00 6 3.35985456e+00 1.12633779e+00 -4.15411171e+00 7 4.14656082e+00 -8.28940272e+00 -5.01407853e+00 8 -4.21097787e+00 -4.24682248e+00 3.29142404e+00 9 -4.49118955e+00 -3.25802645e+00 -6.77619405e+00 10 -1.41922290e+00 9.03784282e+00 -7.23045452e+00 11 -4.89687847e+00 -6.62136535e+00 4.63855381e+00 12 -4.56646867e+00 5.22659974e+00 2.29595812e+00 13 3.59737412e-01 -3.45926674e+00 -1.47813843e+01 14 2.87587674e+00 5.03990768e+00 -3.90385217e+00 15 1.22377354e+01 -4.03812267e+00 2.36214551e+00 16 1.71866228e+00 1.23495664e+01 4.19994489e+00 17 -6.72720042e+00 -3.44410760e+00 -2.25601877e+00 18 1.87713606e+00 6.07755617e+00 -6.55941076e+00 19 1.51916116e+00 -8.63110985e+00 5.14687661e+00 20 -4.39471373e+00 3.59968148e+00 4.55900398e+00 21 -4.38170433e+00 -4.68783625e+00 1.20435449e+00 22 6.30050437e+00 7.09022000e+00 4.99466725e+00 23 1.61209512e+00 -5.32907591e-01 2.57428939e+00 24 3.71327572e+00 2.71042174e+00 4.67807707e+00 25 -5.64377911e+00 -3.89378293e+00 -1.03840251e+00 26 -1.71346848e+00 8.72004355e+00 -3.74790901e+00 27 2.17268253e+00 -9.08855669e+00 6.71587031e+00 28 -7.48639227e+00 6.46124245e+00 3.27361588e+00 29 -8.84595219e-01 -6.30226635e+00 1.98453339e+00 30 3.91344597e+00 4.59690989e+00 1.52748024e+00 31 5.73835283e+00 -3.47932298e+00 4.04760614e+00 32 3.16459228e+00 5.95486420e+00 6.28799815e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 5.54909528745 Forces: 1 6.65308538e+00 -4.50850665e+00 1.75804993e+00 2 -6.40855687e+00 2.58679400e+00 5.72347419e+00 3 1.82675301e+00 4.08255201e+00 5.97175596e-01 4 6.19327909e+00 4.85368547e+00 6.20182165e-01 5 1.91174112e+00 -2.92767925e+00 -7.18965903e-01 6 -5.20803406e+00 7.89040902e+00 -9.15551736e-01 7 -2.01232981e+00 -6.48750219e+00 -5.37430849e+00 8 -4.21379860e+00 -4.16165161e+00 3.24227658e+00 9 -6.03601277e+00 -7.99591272e+00 2.57510081e+00 10 -2.87429788e+00 6.25916708e+00 -2.66449859e+00 11 -5.24070902e+00 -6.63851195e+00 4.54335046e+00 12 1.95902307e+00 1.88239861e+00 3.38080192e+00 13 8.02015187e-01 -4.55268114e+00 -1.08549656e+01 14 -3.08279310e+00 2.47400487e+00 -4.69460752e+00 15 8.07683132e+00 -4.01093764e+00 1.84816990e+00 16 2.35388245e+00 8.39984419e+00 4.93990760e+00 17 2.85841869e+00 -5.40243041e+00 -2.24138000e+00 18 1.89565182e+00 6.15823441e+00 -6.78047551e+00 19 1.38513365e+00 -2.60059267e+00 4.17708100e+00 20 1.74525304e+00 8.87974314e+00 -1.01819626e+00 21 -4.25007276e+00 -4.17372443e-01 2.02431659e+00 22 -1.69060178e+00 1.11814408e+01 6.15890804e+00 23 -6.64365768e+00 -6.78708849e+00 -2.01891559e+00 24 8.20464766e+00 4.36962875e+00 -5.52404167e+00 25 -2.45793271e+00 -5.27967320e+00 -7.74151048e-01 26 -9.46672215e-01 2.13646378e+00 -4.30385237e+00 27 4.87571759e+00 -1.00866257e+01 -2.05219779e+00 28 -7.97055995e+00 6.06570494e+00 -1.79139305e+00 29 -6.88594349e-01 -6.11576124e+00 2.07120678e+00 30 -4.66697494e-01 4.12180421e-01 3.33227271e+00 31 4.08100328e+00 -4.21408315e+00 3.26283606e+00 32 5.36888469e+00 4.55475901e+00 1.47239073e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28071== Memcheck, a memory error detector ==28071== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==28071== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==28071== Command: python runner2.py EAM_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005 ==28071== ==28071== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==28071== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==28071== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28071== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28071== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28071== by 0x4010732: call_init (dl-init.c:72) ==28071== by 0x4010732: _dl_init (dl-init.c:119) ==28071== by 0x40151FE: dl_open_worker (dl-open.c:522) ==28071== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28071== by 0x40147C9: _dl_open (dl-open.c:605) ==28071== by 0x544CF95: dlopen_doit (dlopen.c:66) ==28071== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28071== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==28071== by 0x544D734: _dlerror_run (dlerror.c:162) ==28071== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==28071== ==28071== ==28071== HEAP SUMMARY: ==28071== in use at exit: 9,927,733 bytes in 3,961 blocks ==28071== total heap usage: 112,614 allocs, 108,653 frees, 63,713,103 bytes allocated ==28071== ==28071== LEAK SUMMARY: ==28071== definitely lost: 0 bytes in 0 blocks ==28071== indirectly lost: 0 bytes in 0 blocks ==28071== possibly lost: 182,191 bytes in 111 blocks ==28071== still reachable: 9,745,542 bytes in 3,850 blocks ==28071== suppressed: 0 bytes in 0 blocks ==28071== Rerun with --leak-check=full to see details of leaked memory ==28071== ==28071== For counts of detected and suppressed errors, rerun with: -v ==28071== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 from 170) ================================================================================ 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.