!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_002 Supported species : Pb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 958.363923815 Forces: 1 -2.57128495e+01 -5.92802231e+01 -5.10036269e+01 2 -1.54828498e+01 1.23957415e+01 -5.77300323e+01 3 2.14404799e+01 -5.72037046e+01 -1.96585797e+01 4 -4.68613386e+01 3.54760995e+01 2.87043779e+01 5 9.91563301e+00 -6.78593976e+01 -3.18709685e+01 6 4.15180697e+01 6.89556429e+00 -4.79524063e+01 7 4.07616999e+01 -9.20569137e+01 -5.79213383e+01 8 -3.54797188e+01 -3.72275406e+01 1.36200953e+01 9 -5.68959531e+01 2.81999172e-01 -7.03758539e+01 10 -2.06127583e+01 8.68920749e+01 -7.56987904e+01 11 -2.62595367e+01 -4.68954517e+01 3.78667353e+01 12 -4.81595381e+01 6.33142328e+01 -1.76836235e+01 13 -1.75980100e-01 -2.51222005e+01 -1.42488503e+02 14 4.17180374e+01 4.63375288e+01 -3.68616915e+01 15 1.25143268e+02 -1.91473027e+01 1.91871766e+01 16 9.96381007e+00 1.10765481e+02 3.63530098e+01 17 -7.03688727e+01 -3.57950531e+01 5.33636917e+00 18 1.94588569e+01 4.19534842e+01 6.72415645e+00 19 5.61110925e+00 -5.49925046e+01 3.73645596e+01 20 -3.64350666e+01 1.85441525e+01 3.48042734e+01 21 -3.41778870e+01 -5.65890675e+01 1.46146149e+01 22 7.59277350e+01 6.03114063e+01 4.83908071e+01 23 3.81090255e+01 -2.11788332e+01 4.01203963e+01 24 -5.02274202e+00 2.45958822e+01 4.17880793e+01 25 -5.10307449e+01 -4.49481860e+01 1.38788227e+01 26 -1.45420180e+01 8.23787785e+01 -2.47738196e+01 27 2.51953023e+01 -9.01970426e+01 6.04041442e+01 28 -8.61140959e+01 7.22062651e+01 3.38573073e+01 29 -2.35404818e+01 -4.82731621e+01 2.54762807e+01 30 5.00449697e+01 6.27062442e+01 1.33672890e+01 31 6.12864478e+01 -2.66792049e+01 5.48688430e+01 32 3.07779870e+01 5.83908532e+01 6.72918955e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1487.95886201 Forces: 1 6.36294927e+01 -7.65848995e+01 1.09046845e+01 2 -5.10224168e+01 2.63661260e+01 2.91524465e+01 3 2.12745608e+01 1.58303763e+01 -1.54525973e+01 4 4.02866919e+01 5.68081240e+01 4.23921485e+01 5 2.26970741e+01 -1.82408705e+01 3.50983234e+00 6 -7.07312834e+01 7.90709012e+01 1.87909137e+01 7 -1.92085652e+01 -6.15018438e+01 -5.71896825e+01 8 -4.09347169e+01 -3.56260038e+01 1.82386249e+01 9 -6.70344856e+01 -4.36552924e+01 3.44637032e+01 10 -3.56461620e+01 4.13290844e+01 -2.45978633e+01 11 -2.51469634e+01 -5.03372284e+01 4.53790279e+01 12 1.49486472e+01 1.26292933e+01 -3.36046345e+01 13 1.92838429e+00 -3.63578383e+01 -1.01214972e+02 14 -5.43454834e+00 1.28964244e+01 -2.91543779e+01 15 8.26867725e+01 -2.25424454e+01 2.00696908e+01 16 1.53515011e+01 6.15364897e+01 4.17457014e+01 17 2.70186281e+01 -3.32463572e+01 1.70990499e+01 18 2.60708095e+01 4.48543483e+01 5.07864568e+00 19 8.59108962e+00 1.10532919e+01 1.38517372e+01 20 5.41064143e+01 7.88063618e+01 -3.00880876e+01 21 -3.77894810e+01 -4.04293558e+00 1.67180655e+01 22 -6.76323758e+00 1.04808753e+02 5.26875798e+01 23 -4.87575499e+01 -8.70469717e+01 -5.00450777e+01 24 2.88527064e+01 3.85397807e+01 -6.26118097e+01 25 -5.92896031e+00 -5.88510690e+01 1.39464464e+01 26 -7.56308123e+00 1.51032300e+01 -3.24803677e+01 27 5.85778501e+01 -9.79310897e+01 -3.09846054e+01 28 -7.93080192e+01 6.48664492e+01 -1.82534986e+01 29 -2.44098718e+01 -5.08532662e+01 2.54089976e+01 30 -1.79298644e+01 1.47400467e+01 3.69117196e+01 31 3.26788164e+01 -3.37155460e+01 2.83889941e+01 32 4.49097684e+01 3.12945763e+01 1.09395651e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==17846== Memcheck, a memory error detector ==17846== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==17846== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==17846== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_002 ==17846== ==17846== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==17846== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==17846== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==17846== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==17846== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==17846== by 0x4010732: call_init (dl-init.c:72) ==17846== by 0x4010732: _dl_init (dl-init.c:119) ==17846== by 0x40151FE: dl_open_worker (dl-open.c:522) ==17846== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==17846== by 0x40147C9: _dl_open (dl-open.c:605) ==17846== by 0x544CF95: dlopen_doit (dlopen.c:66) ==17846== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==17846== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==17846== by 0x544D734: _dlerror_run (dlerror.c:162) ==17846== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==17846== ==17846== ==17846== HEAP SUMMARY: ==17846== in use at exit: 5,003,372 bytes in 3,908 blocks ==17846== total heap usage: 132,673 allocs, 128,765 frees, 59,853,435 bytes allocated ==17846== ==17846== LEAK SUMMARY: ==17846== definitely lost: 0 bytes in 0 blocks ==17846== indirectly lost: 0 bytes in 0 blocks ==17846== possibly lost: 182,191 bytes in 111 blocks ==17846== still reachable: 4,821,181 bytes in 3,797 blocks ==17846== suppressed: 0 bytes in 0 blocks ==17846== Rerun with --leak-check=full to see details of leaked memory ==17846== ==17846== For counts of detected and suppressed errors, rerun with: -v ==17846== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2506 from 173) ================================================================================ 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.