!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 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 = -3.3514972333 Forces: 1 -1.00658417e+01 -8.01701801e+00 -1.35852574e+01 2 -7.55406309e+00 1.36104011e+01 -6.96083361e+00 3 7.68575433e+00 -1.12471260e+01 6.18563829e+00 4 -8.76366091e+00 8.42170175e+00 6.49633707e+00 5 4.39289669e+00 -1.82966080e+01 -2.54203706e+00 6 1.07569555e+01 7.40506852e+00 -9.97857633e+00 7 2.82630731e+00 -3.54051137e+01 -3.25631505e+01 8 -1.39820730e+01 -1.26735876e+01 3.92475536e+00 9 -7.96850221e+00 -9.24075038e+00 -1.54855264e+01 10 -6.29242827e+00 1.65013807e+01 -2.00006787e+01 11 -2.85730909e+00 -9.98041439e+00 7.67333325e+00 12 -7.60983555e+00 1.09891598e+01 6.93965158e+00 13 -1.38794577e+01 -1.17636579e+01 -4.85396276e+01 14 6.52581022e+00 9.46480841e+00 -5.40345181e+00 15 4.08549492e+01 -7.89287920e+00 1.52946582e+01 16 6.78058958e+00 2.97136904e+01 1.82828528e+01 17 -8.66289102e+00 -4.79947005e+00 -8.40416412e+00 18 1.06167298e+00 5.20245583e+00 7.53528045e+00 19 8.67677438e+00 -6.15249307e+00 6.30464485e+00 20 -3.47389310e+00 8.67324993e+00 5.48070096e+00 21 -1.56867084e+01 -1.01875543e+01 6.76900292e+00 22 1.90779859e+01 3.23675191e+01 2.62120407e+01 23 9.69139501e+00 -5.46985657e+00 7.89229240e+00 24 -8.12514682e+00 3.87048830e+00 2.65775724e+00 25 -1.15547215e+01 -1.04538824e+01 -5.08059503e+00 26 -6.06749968e+00 1.91150314e+01 -1.24788166e+01 27 2.27463420e+01 -4.33343147e+01 1.36860703e+01 28 -3.45317994e+01 3.24019771e+01 6.92533480e+00 29 -8.80792326e+00 -1.41667408e+01 3.48925673e+00 30 6.81224780e+00 1.37071261e+01 3.96233998e+00 31 1.79795505e+01 -7.35713594e+00 1.03182200e+01 32 1.00145233e+01 1.49945446e+01 1.49925473e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 18.9106649043 Forces: 1 1.22052076e+01 -1.68454359e+01 -1.28358900e+00 2 -1.70155851e+01 1.22692268e+01 5.76148309e+00 3 6.32628493e+00 3.79378224e+00 1.15541020e+01 4 -2.47999549e+00 9.22453070e+00 1.53136311e+00 5 8.92628355e+00 -1.21866986e+01 2.85475619e+00 6 -6.05878469e+00 3.15524588e+01 2.61325610e+01 7 -1.71756071e+00 -3.16259822e+01 -3.36507715e+01 8 -1.22137976e+01 -1.34502266e+01 2.53477921e+00 9 -2.14508908e+01 -2.36860913e+01 2.25244673e+01 10 -1.23332515e+01 2.66469323e+00 -1.46456732e+01 11 -3.78694372e+00 -8.18488026e+00 5.80761879e+00 12 8.50538995e+00 2.53260076e+00 1.36365272e+01 13 -1.29424099e+01 -1.19035194e+01 -4.27619736e+01 14 -1.16518567e+01 7.16507547e+00 -1.40904315e+01 15 3.77872714e+01 -8.14817031e+00 1.42791910e+01 16 8.09432111e+00 2.63970291e+01 1.70232211e+01 17 1.65943131e+01 -1.86789638e+01 -5.54766136e+00 18 2.10083522e-01 3.82277392e+00 7.78930417e+00 19 7.61325192e+00 6.57225991e+00 7.76674927e+00 20 1.86522028e+01 2.72104354e+01 -4.96902648e+00 21 -1.44465575e+01 -4.71475737e+00 7.63662588e+00 22 -2.77816783e+00 4.66374640e+01 2.34264465e+01 23 -1.23215722e+01 -3.60839525e+01 -2.15999947e+01 24 -2.46347403e+00 1.11187896e+01 -1.78851100e+01 25 -6.50273572e+00 -1.18832782e+01 -4.01343511e+00 26 -5.72333197e+00 8.94608381e+00 -1.64747240e+01 27 3.75313740e+01 -4.00358437e+01 -1.17552884e+01 28 -3.58091664e+01 3.78236453e+01 -7.85475627e+00 29 -8.01532823e+00 -1.26124058e+01 4.10727830e+00 30 -2.02514551e+00 7.71766843e+00 7.33352208e+00 31 1.60412939e+01 -7.70015190e+00 9.77323515e+00 32 1.32492778e+01 1.22918403e+01 5.05920375e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==29271== Memcheck, a memory error detector ==29271== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==29271== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==29271== Command: python runner2.py EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 ==29271== ==29271== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==29271== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==29271== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29271== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29271== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29271== by 0x4010732: call_init (dl-init.c:72) ==29271== by 0x4010732: _dl_init (dl-init.c:119) ==29271== by 0x40151FE: dl_open_worker (dl-open.c:522) ==29271== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29271== by 0x40147C9: _dl_open (dl-open.c:605) ==29271== by 0x544CF95: dlopen_doit (dlopen.c:66) ==29271== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29271== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==29271== by 0x544D734: _dlerror_run (dlerror.c:162) ==29271== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==29271== ==29271== ==29271== HEAP SUMMARY: ==29271== in use at exit: 5,077,805 bytes in 3,961 blocks ==29271== total heap usage: 113,062 allocs, 109,101 frees, 58,297,227 bytes allocated ==29271== ==29271== LEAK SUMMARY: ==29271== definitely lost: 0 bytes in 0 blocks ==29271== indirectly lost: 0 bytes in 0 blocks ==29271== possibly lost: 182,191 bytes in 111 blocks ==29271== still reachable: 4,895,614 bytes in 3,850 blocks ==29271== suppressed: 0 bytes in 0 blocks ==29271== Rerun with --leak-check=full to see details of leaked memory ==29271== ==29271== For counts of detected and suppressed errors, rerun with: -v ==29271== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2504 from 172) ================================================================================ 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.