!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WilsonMendelev_2016_Mg__MO_574574915905_000 Supported species : Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 93.4214118813 Forces: 1 -4.25335801e+00 -1.06225377e+01 -1.08903102e+01 2 -4.53589811e+00 6.61587652e+00 -9.26632711e+00 3 2.07677340e+00 -8.59727467e+00 -3.37886324e+00 4 -7.29100102e+00 8.44264636e+00 5.57123461e+00 5 5.44834930e+00 -1.28361244e+01 -1.84017702e+00 6 5.58839846e+00 -1.78175227e+00 -6.78054011e+00 7 3.18267578e+00 -1.78990947e+01 -1.51561954e+01 8 -1.31353955e+01 -1.44600885e+01 4.35912711e-01 9 -5.63763659e+00 -5.72692617e-02 -8.54479519e+00 10 -4.37148288e+00 9.35946668e+00 -1.13513252e+01 11 -3.36080610e+00 -6.23589202e+00 1.08418970e+00 12 -6.95416634e+00 8.08646633e+00 -1.38020223e+00 13 -3.04390016e+00 1.59654560e-01 -2.52186614e+01 14 5.01058105e+00 4.77586163e+00 -3.37697127e+00 15 3.00397333e+01 8.63740363e+00 3.27330378e+00 16 3.77134842e+00 1.73369696e+01 7.83416345e+00 17 -8.21012831e+00 -2.90336548e+00 3.40106638e+00 18 1.07919250e+00 5.04413289e+00 6.65415056e-01 19 -7.01638837e-05 -6.06966061e+00 7.34737222e+00 20 -3.94224963e+00 -4.00832252e-03 3.31141846e+00 21 -2.02754547e+00 -8.42990700e+00 4.61173990e+00 22 1.34205438e+01 9.30249760e+00 1.22943884e+01 23 2.86818789e+00 -2.44194649e+00 4.34048612e+00 24 -5.62253376e-01 -7.76522573e-01 5.67771956e+00 25 -7.63650980e+00 -3.54748379e+00 5.92609647e+00 26 -2.61183640e+00 8.88392869e+00 -1.81763802e+00 27 6.73169214e+00 -1.47175047e+01 6.62087354e+00 28 -1.60593330e+01 1.36205366e+01 2.81357799e+00 29 -7.97414013e+00 -1.71404491e+00 2.86690609e+00 30 7.38909816e+00 7.82364239e+00 7.21041034e-02 31 1.02384142e+01 -2.15016628e+00 1.24311109e+01 32 4.76272249e+00 7.15556017e+00 8.42292683e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 277.83154991 Forces: 1 2.62084051e+00 -1.28502711e+01 -8.92023723e+00 2 -1.76921730e+01 6.27914633e+00 1.06236591e+01 3 7.75846580e+00 2.53000620e+00 -1.91852345e+00 4 1.05286912e+01 1.25015249e+01 1.26052191e+01 5 1.26385526e+01 -1.32834083e+00 1.88357056e+00 6 -1.03174454e+01 4.94419290e+00 -4.78436384e+00 7 -6.90666743e+00 -1.82821068e+01 -1.76969218e+01 8 -1.79519072e+01 -1.58670119e+01 2.93201685e+00 9 -1.03539607e+01 -5.82193466e+00 8.54334705e+00 10 -8.23507612e+00 5.17684510e-01 -5.88599431e+00 11 -2.79719523e+00 -9.71819491e+00 4.71369946e+00 12 -2.90870568e+00 -6.62964529e-01 2.02859391e+00 13 -2.20272542e+00 -1.80433901e+00 -2.14613445e+01 14 -3.98861417e+00 2.81461886e+00 -5.81259366e+00 15 2.59652546e+01 1.03851835e+01 5.40964061e+00 16 5.87706559e+00 1.32635093e+01 1.16625556e+01 17 5.99672785e+00 -7.67383459e+00 5.02018742e+00 18 2.59871692e+00 9.91604488e+00 -5.03310352e-01 19 1.23025515e+00 3.29817760e+00 5.02514354e+00 20 6.83403323e+00 5.32147744e+00 -7.08889555e+00 21 -5.07448973e+00 -1.78110650e+00 6.28626211e+00 22 4.56953410e-01 2.28494904e+01 1.55643480e+01 23 -8.66309737e+00 -9.51975218e+00 -9.21922179e-01 24 1.22836460e+01 2.35788840e+00 -1.73883042e+01 25 -1.00831784e+00 -6.53982463e+00 7.54790818e+00 26 -1.06661910e+00 -6.30049915e-01 -5.96445788e+00 27 1.56418075e+01 -2.03892714e+01 -1.16331585e+01 28 -1.97342996e+01 1.52174766e+01 -3.98284308e+00 29 -1.09016659e+01 -4.14897118e+00 3.29610055e+00 30 2.61397094e+00 1.51895220e+00 1.04141846e+00 31 6.88956255e+00 -2.19906675e+00 8.40472333e+00 32 9.86841616e+00 5.50166697e+00 1.37447683e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==7249== Memcheck, a memory error detector ==7249== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==7249== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==7249== Command: python runner2.py EAM_Dynamo_WilsonMendelev_2016_Mg__MO_574574915905_000 ==7249== ==7249== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==7249== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==7249== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==7249== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==7249== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==7249== by 0x4010732: call_init (dl-init.c:72) ==7249== by 0x4010732: _dl_init (dl-init.c:119) ==7249== by 0x40151FE: dl_open_worker (dl-open.c:522) ==7249== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==7249== by 0x40147C9: _dl_open (dl-open.c:605) ==7249== by 0x544CF95: dlopen_doit (dlopen.c:66) ==7249== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==7249== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==7249== by 0x544D734: _dlerror_run (dlerror.c:162) ==7249== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==7249== ==7249== ==7249== HEAP SUMMARY: ==7249== in use at exit: 10,107,635 bytes in 3,960 blocks ==7249== total heap usage: 118,510 allocs, 114,550 frees, 64,304,091 bytes allocated ==7249== ==7249== LEAK SUMMARY: ==7249== definitely lost: 0 bytes in 0 blocks ==7249== indirectly lost: 0 bytes in 0 blocks ==7249== possibly lost: 182,191 bytes in 111 blocks ==7249== still reachable: 9,925,444 bytes in 3,849 blocks ==7249== suppressed: 0 bytes in 0 blocks ==7249== Rerun with --leak-check=full to see details of leaked memory ==7249== ==7249== For counts of detected and suppressed errors, rerun with: -v ==7249== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 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.