!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevKramerHao_2012_Ni__MO_832600236922_005 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 10.1076958727 Forces: 1 -2.33387180e+01 -1.41580701e+01 -3.81049839e+01 2 -1.49271849e+01 2.08990230e+01 -4.43337001e+00 3 5.17634891e+01 -1.45940555e+01 1.27735353e+01 4 -1.69140960e+01 2.80481920e+01 8.64787763e+00 5 1.38631555e+01 -2.14839707e+01 3.93325122e-01 6 5.53573626e+00 9.51077147e+00 -1.50785830e+01 7 4.92487638e+00 -6.13254713e+01 -5.07702514e+01 8 -2.30930077e+01 -1.27530993e+01 -9.17351959e+00 9 -1.54621441e+00 -1.17006071e+01 -1.49071575e+01 10 -1.89298625e+01 1.46862690e+01 -3.04474199e+01 11 -1.29570074e+01 -1.99337639e+01 1.53522941e+00 12 -3.13977834e+00 1.33563606e+01 1.38099989e+01 13 -2.41574016e+01 -2.85437082e+01 -7.31320450e+01 14 6.58760689e+00 1.24975518e+01 -9.73557769e+00 15 5.95982588e+01 -3.38767563e+01 1.11778570e+01 16 7.27820747e+00 5.41783563e+01 3.55246917e+01 17 -1.59893620e+01 -5.29559220e+00 1.62694394e+01 18 2.46771464e+00 1.85016859e+01 -3.85785654e+01 19 -8.78749426e+00 -3.29721080e+01 1.34105095e+01 20 -1.47579141e+01 1.96711386e+00 1.23391785e+01 21 -2.09682880e+01 -9.84627402e+00 1.50084534e+01 22 2.68126303e+01 4.64353728e+01 4.32758795e+01 23 4.55942209e+00 -2.02487784e+00 8.17814774e+00 24 2.13281101e+01 1.35515036e+01 1.74551324e+01 25 -7.22302915e+00 1.72620812e-01 4.98732114e+00 26 -1.37230007e+01 2.10158956e+01 -2.29228176e+01 27 2.52417017e+01 -6.14931984e+01 2.32822449e+01 28 -5.01360472e+01 4.22108080e+01 -5.32767865e+00 29 -1.38164243e+01 -7.66311265e+00 1.57178853e+01 30 1.20812880e+01 3.04994940e+01 2.64737013e+01 31 2.55207270e+01 -1.04554100e+01 1.24924950e+01 32 1.68419063e+01 2.05890569e+01 1.98590666e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 110.005306612 Forces: 1 1.52689530e+01 -3.56372512e+01 -4.08704590e+01 2 -5.33810419e+01 2.48656146e+01 4.87140359e+01 3 5.82862542e+01 -9.51776487e+00 1.43197093e+01 4 1.54319255e+01 4.13854056e+01 3.12352456e+00 5 2.67052982e+01 -1.78086693e+01 1.04656953e+01 6 -4.46847653e+01 3.82426222e+01 -2.66536104e+01 7 -1.14382557e+01 -6.01059441e+01 -5.78375196e+01 8 -2.82208237e+01 -1.50157617e+01 -8.55142556e+00 9 -1.00088844e+01 -2.85652152e+01 3.64264570e+00 10 -3.35791223e+01 6.16234719e+00 -2.16004462e+01 11 -1.48406135e+01 -2.43372274e+01 2.01246608e+00 12 3.99808906e+01 5.33191247e+00 1.58221628e+01 13 -2.41252917e+01 -3.52165361e+01 -7.83274121e+01 14 -2.47299658e+01 1.95321373e+01 -3.45785546e+01 15 5.91382179e+01 -3.92483359e+01 1.19358642e+01 16 4.22517615e+00 5.83534092e+01 3.79732837e+01 17 2.66601905e+01 -1.69050782e+01 2.44325675e+01 18 4.28178634e+00 1.98847417e+01 -3.90150125e+01 19 -1.13868426e+01 -1.48159492e+01 2.19332754e+01 20 -1.97741823e+00 1.74230364e+01 1.20491105e+01 21 -2.34238506e+01 -6.21224071e+00 1.89033825e+01 22 -7.37249484e+00 7.19794255e+01 6.57582673e+01 23 -1.27994256e+01 -1.91905898e+01 2.44515897e+00 24 6.14920185e+01 2.60686617e+01 -4.67588788e+01 25 -4.30361383e+00 -1.64992629e+00 7.99538044e+00 26 -1.22953073e+01 7.40857732e+00 -3.46915474e+01 27 3.88843353e+01 -6.68117681e+01 7.01107249e+00 28 -5.37970781e+01 4.60348210e+01 -1.22602382e+01 29 -1.48866709e+01 -1.14387611e+01 2.09947532e+01 30 -1.42855319e+01 1.41908508e+01 4.85683783e+01 31 2.46855977e+01 -1.26490778e+01 1.30414014e+01 32 2.64963544e+01 1.82625342e+01 1.00029688e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3269== Memcheck, a memory error detector ==3269== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==3269== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==3269== Command: python runner2.py EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005 ==3269== ==3269== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==3269== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==3269== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3269== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3269== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3269== by 0x4010732: call_init (dl-init.c:72) ==3269== by 0x4010732: _dl_init (dl-init.c:119) ==3269== by 0x40151FE: dl_open_worker (dl-open.c:522) ==3269== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==3269== by 0x40147C9: _dl_open (dl-open.c:605) ==3269== by 0x544CF95: dlopen_doit (dlopen.c:66) ==3269== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==3269== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==3269== by 0x544D734: _dlerror_run (dlerror.c:162) ==3269== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==3269== ==3269== ==3269== HEAP SUMMARY: ==3269== in use at exit: 9,984,529 bytes in 3,961 blocks ==3269== total heap usage: 114,334 allocs, 110,373 frees, 63,899,731 bytes allocated ==3269== ==3269== LEAK SUMMARY: ==3269== definitely lost: 0 bytes in 0 blocks ==3269== indirectly lost: 0 bytes in 0 blocks ==3269== possibly lost: 182,191 bytes in 111 blocks ==3269== still reachable: 9,802,338 bytes in 3,850 blocks ==3269== suppressed: 0 bytes in 0 blocks ==3269== Rerun with --leak-check=full to see details of leaked memory ==3269== ==3269== For counts of detected and suppressed errors, rerun with: -v ==3269== 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.