!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_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 = -25.9142184282 Forces: 1 -3.48812448e+00 -5.94137346e+00 -6.28131571e+00 2 -8.26466871e+00 1.40149863e+01 -6.47941559e+00 3 4.69812334e+00 -5.12668396e+00 1.71173201e-02 4 -5.02648354e+00 4.93063435e+00 4.61679196e+00 5 9.48566425e+00 -1.62752014e+01 -5.92316357e-01 6 4.37064529e+00 7.55116460e-01 -5.97355361e+00 7 3.11400769e+00 -2.28368754e+01 -2.30726644e+01 8 -1.21769824e+01 -1.06571007e+01 5.10413269e+00 9 -5.22750986e+00 -6.33036156e+00 -1.03556685e+01 10 -4.36049577e+00 1.16926845e+01 -1.39453197e+01 11 -4.12876488e+00 -8.93921893e+00 4.12020564e+00 12 -5.95501312e+00 7.89671046e+00 4.59680531e+00 13 -8.90654143e+00 -7.29857088e+00 -3.42022764e+01 14 5.00381095e+00 6.88625354e+00 -4.18643034e+00 15 2.94030216e+01 -5.22962003e+00 9.57814326e+00 16 4.48551389e+00 2.31363555e+01 1.14401714e+01 17 -1.11506075e+01 -5.72405456e+00 -4.36448181e+00 18 6.53529301e+00 1.10659870e+01 -7.80442254e+00 19 6.36295887e+00 -1.11601467e+01 9.41122521e+00 20 -5.92700920e+00 6.08746776e+00 7.22009774e+00 21 -1.34276846e+01 -6.06709547e+00 1.93696434e+00 22 1.36071963e+01 2.02086259e+01 1.78284445e+01 23 5.13259839e+00 -4.82893509e-01 8.17008464e+00 24 -2.60443412e-02 -2.55233757e+00 3.55909067e+00 25 -9.95234533e+00 -6.53135405e+00 -3.13904283e+00 26 -4.26047016e+00 1.48449026e+01 -7.89438571e+00 27 1.22738771e+01 -2.62824809e+01 1.06028973e+01 28 -2.22735556e+01 2.06372513e+01 5.16945065e+00 29 -5.74841881e+00 -1.06544676e+01 3.40003246e+00 30 5.71121212e+00 1.01651773e+01 2.97710830e+00 31 1.32033859e+01 -5.23119806e+00 7.59781523e+00 32 6.91341107e+00 1.09988817e+01 1.09447149e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -16.2634441967 Forces: 1 5.90744005e+00 -8.98989913e+00 -1.39942447e-01 2 -2.04142738e+01 9.33355081e+00 1.11847569e+01 3 4.20505235e+00 3.82951282e+00 1.25421833e+00 4 8.24918612e-01 6.43444619e+00 1.46353008e+00 5 1.64795977e+01 -4.13220365e+00 8.59327927e-01 6 -3.20602581e+00 1.33223949e+01 7.53615846e+00 7 -1.56028280e+00 -2.03738781e+01 -2.46514982e+01 8 -1.16180325e+01 -1.10045867e+01 4.69974490e+00 9 -1.45212648e+01 -1.74221905e+01 1.52725260e+01 10 -1.20340882e+01 9.63655257e-01 -6.59643995e+00 11 -4.67504500e+00 -8.44825841e+00 3.53693747e+00 12 5.97059261e+00 2.27292753e+00 8.93334071e+00 13 -7.87404272e+00 -7.62186223e+00 -2.87637024e+01 14 -8.20867841e+00 5.46410347e+00 -1.00103352e+01 15 2.66703118e+01 -6.28527210e+00 9.43782608e+00 16 6.00062946e+00 1.92757618e+01 1.15616925e+01 17 6.01447945e+00 -1.42143922e+01 -1.09112349e+00 18 6.23282516e+00 1.05517245e+01 -7.42575066e+00 19 5.71923756e+00 -1.25379774e+00 8.79450089e+00 20 2.97809302e+00 1.32420005e+01 -1.12142225e+00 21 -1.35893220e+01 -1.21294654e+00 2.52050199e+00 22 -1.78517829e+00 3.14640478e+01 1.66293156e+01 23 -2.97416984e+00 -1.28400878e+01 -2.51944173e+00 24 1.10635704e+01 3.74385532e+00 -1.51449586e+01 25 -5.71117864e+00 -8.26537539e+00 -2.61012187e+00 26 -3.48525518e+00 5.43682002e+00 -9.89825585e+00 27 2.29375347e+01 -2.66890281e+01 -7.82259107e+00 28 -2.50675096e+01 2.49789464e+01 -5.31215383e+00 29 -5.29345590e+00 -1.00962905e+01 3.81195150e+00 30 -9.84039802e-01 5.08831160e+00 5.80072901e+00 31 1.17566649e+01 -5.55982361e+00 6.49102201e+00 32 1.02408956e+01 9.00783385e+00 3.31965717e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==9976== Memcheck, a memory error detector ==9976== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==9976== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==9976== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 ==9976== ==9976== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==9976== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==9976== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9976== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9976== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9976== by 0x4010732: call_init (dl-init.c:72) ==9976== by 0x4010732: _dl_init (dl-init.c:119) ==9976== by 0x40151FE: dl_open_worker (dl-open.c:522) ==9976== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9976== by 0x40147C9: _dl_open (dl-open.c:605) ==9976== by 0x544CF95: dlopen_doit (dlopen.c:66) ==9976== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9976== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==9976== by 0x544D734: _dlerror_run (dlerror.c:162) ==9976== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==9976== ==9976== ==9976== HEAP SUMMARY: ==9976== in use at exit: 5,877,517 bytes in 3,961 blocks ==9976== total heap usage: 114,082 allocs, 110,121 frees, 59,273,307 bytes allocated ==9976== ==9976== LEAK SUMMARY: ==9976== definitely lost: 0 bytes in 0 blocks ==9976== indirectly lost: 0 bytes in 0 blocks ==9976== possibly lost: 182,191 bytes in 111 blocks ==9976== still reachable: 5,695,326 bytes in 3,850 blocks ==9976== suppressed: 0 bytes in 0 blocks ==9976== Rerun with --leak-check=full to see details of leaked memory ==9976== ==9976== For counts of detected and suppressed errors, rerun with: -v ==9976== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 from 175) ================================================================================ 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.