!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = -65.4406217387 Forces: 1 -1.02347028e+00 -1.38051130e+00 -2.10957602e+00 2 -1.24640502e+00 2.60751493e+00 -1.31899972e+00 3 1.97428726e+00 -1.31977811e+00 2.08884515e+00 4 -6.14309948e-01 2.24173862e+00 1.69180065e+00 5 1.28079911e+00 -2.14456673e+00 1.45275365e-01 6 6.09360787e-01 1.55974220e+00 -1.32231234e+00 7 1.40181459e+00 -6.28948646e+00 -4.90279776e+00 8 -4.03834292e+00 -2.40717851e+00 -6.69248526e-01 9 -2.16990826e+00 -1.99121075e+00 -3.11441135e+00 10 -1.04898012e+00 3.74289195e+00 -4.03697161e+00 11 -1.09108822e+00 -3.40569919e+00 4.52670106e+00 12 -7.50181495e-01 1.60187203e+00 1.59710063e+00 13 -1.18237972e+00 -3.19809261e+00 -7.85098987e+00 14 5.79646483e-01 1.12159141e+00 -2.53535686e-01 15 7.04791653e+00 -1.22392508e+00 1.78060042e+00 16 1.78752973e+00 5.49472924e+00 3.11797278e+00 17 -1.51555319e+00 -9.33849360e-01 -1.88373042e+00 18 4.11046437e-01 2.84589995e+00 -3.59456584e+00 19 1.81293468e+00 -2.80663315e+00 2.31673943e+00 20 -1.02314638e+00 1.99372553e+00 1.33425413e+00 21 -3.48369668e+00 -1.08704115e+00 1.04937113e+00 22 2.67835164e+00 5.08807573e+00 4.77522843e+00 23 4.53821572e-01 3.68373948e-01 7.78033604e-01 24 8.54586525e-01 -5.47759621e-01 1.17974540e+00 25 -1.92289886e+00 -2.78580826e+00 -2.07229088e+00 26 -1.31633210e+00 3.54757169e+00 -2.68217030e+00 27 2.76820928e+00 -6.73172474e+00 2.85300168e+00 28 -4.66425244e+00 4.87506773e+00 1.22667413e+00 29 -1.90944977e+00 -1.65665718e+00 1.10095775e+00 30 5.10665112e-01 2.03694833e+00 3.64021475e-01 31 3.11621704e+00 -1.80349307e+00 1.70393535e+00 32 1.71320864e+00 2.58767200e+00 2.18134176e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==12811== Memcheck, a memory error detector ==12811== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==12811== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==12811== Command: python runner2.py EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 ==12811== ==12811== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==12811== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==12811== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12811== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12811== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12811== by 0x4010732: call_init (dl-init.c:72) ==12811== by 0x4010732: _dl_init (dl-init.c:119) ==12811== by 0x40151FE: dl_open_worker (dl-open.c:522) ==12811== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==12811== by 0x40147C9: _dl_open (dl-open.c:605) ==12811== by 0x544CF95: dlopen_doit (dlopen.c:66) ==12811== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==12811== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==12811== by 0x544D734: _dlerror_run (dlerror.c:162) ==12811== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==12811== ==12811== ==12811== HEAP SUMMARY: ==12811== in use at exit: 5,206,966 bytes in 3,963 blocks ==12811== total heap usage: 114,098 allocs, 110,135 frees, 65,180,935 bytes allocated ==12811== ==12811== LEAK SUMMARY: ==12811== definitely lost: 0 bytes in 0 blocks ==12811== indirectly lost: 0 bytes in 0 blocks ==12811== possibly lost: 181,631 bytes in 110 blocks ==12811== still reachable: 5,025,335 bytes in 3,853 blocks ==12811== suppressed: 0 bytes in 0 blocks ==12811== Rerun with --leak-check=full to see details of leaked memory ==12811== ==12811== For counts of detected and suppressed errors, rerun with: -v ==12811== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2527 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.