!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_1959MedCutoff_Pb__MO_958424213898_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 = 958.468743442 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 = 1490.59335477 Forces: 1 6.36301038e+01 -7.65867262e+01 1.09049111e+01 2 -5.10231026e+01 2.63668772e+01 2.91529585e+01 3 2.12757301e+01 1.58297907e+01 -1.54526041e+01 4 4.02881272e+01 5.68083745e+01 4.23940435e+01 5 2.26972926e+01 -1.82429276e+01 3.50946984e+00 6 -7.07311203e+01 7.90708652e+01 1.87909795e+01 7 -1.92074871e+01 -6.15040017e+01 -5.71918634e+01 8 -4.09368588e+01 -3.56261338e+01 1.82387384e+01 9 -6.70351011e+01 -4.36556902e+01 3.44638968e+01 10 -3.56476359e+01 4.13297712e+01 -2.45971742e+01 11 -2.51491493e+01 -5.03383751e+01 4.53807287e+01 12 1.49484536e+01 1.26326596e+01 -3.36054857e+01 13 1.92843004e+00 -3.63585666e+01 -1.01215548e+02 14 -5.43416004e+00 1.28972020e+01 -2.91546646e+01 15 8.26874247e+01 -2.25418485e+01 2.00692999e+01 16 1.53538404e+01 6.15394154e+01 4.17468181e+01 17 2.70193475e+01 -3.32478066e+01 1.70988464e+01 18 2.60716617e+01 4.48545530e+01 5.07788354e+00 19 8.59185015e+00 1.10522559e+01 1.38527531e+01 20 5.41058545e+01 7.88069548e+01 -3.00896425e+01 21 -3.77910848e+01 -4.04439795e+00 1.67179566e+01 22 -6.76413423e+00 1.04810604e+02 5.26877642e+01 23 -4.87595531e+01 -8.70485627e+01 -5.00443965e+01 24 2.88536971e+01 3.85401786e+01 -6.26130160e+01 25 -5.92925300e+00 -5.88524743e+01 1.39466081e+01 26 -7.56440469e+00 1.51048232e+01 -3.24812502e+01 27 5.85783825e+01 -9.79323098e+01 -3.09850800e+01 28 -7.93098121e+01 6.48670503e+01 -1.82540320e+01 29 -2.44083257e+01 -5.08544622e+01 2.54083725e+01 30 -1.79300005e+01 1.47412902e+01 3.69138096e+01 31 3.26794826e+01 -3.37157347e+01 2.83891400e+01 32 4.49115048e+01 3.12973515e+01 1.09397788e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1524== Memcheck, a memory error detector ==1524== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1524== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1524== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_002 ==1524== ==1524== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==1524== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==1524== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1524== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1524== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1524== by 0x4010732: call_init (dl-init.c:72) ==1524== by 0x4010732: _dl_init (dl-init.c:119) ==1524== by 0x40151FE: dl_open_worker (dl-open.c:522) ==1524== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1524== by 0x40147C9: _dl_open (dl-open.c:605) ==1524== by 0x544CF95: dlopen_doit (dlopen.c:66) ==1524== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1524== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==1524== by 0x544D734: _dlerror_run (dlerror.c:162) ==1524== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==1524== ==1524== ==1524== HEAP SUMMARY: ==1524== in use at exit: 4,806,378 bytes in 3,908 blocks ==1524== total heap usage: 127,027 allocs, 123,119 frees, 59,389,049 bytes allocated ==1524== ==1524== LEAK SUMMARY: ==1524== definitely lost: 0 bytes in 0 blocks ==1524== indirectly lost: 0 bytes in 0 blocks ==1524== possibly lost: 182,191 bytes in 111 blocks ==1524== still reachable: 4,624,187 bytes in 3,797 blocks ==1524== suppressed: 0 bytes in 0 blocks ==1524== Rerun with --leak-check=full to see details of leaked memory ==1524== ==1524== For counts of detected and suppressed errors, rerun with: -v ==1524== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2507 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.