!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Cu__MO_151002396060_002 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 82.8202561709 Forces: 1 -3.97563872e+00 -8.15444329e+00 -8.75055693e+00 2 -3.76977578e+00 6.58024688e+00 -6.98249309e+00 3 4.76324835e+00 -1.28877530e+01 -5.83250452e+00 4 -7.35847120e+00 6.11860741e+00 3.87036455e+00 5 -1.48401753e+00 -1.35260139e+01 -3.51307160e+00 6 8.18521346e+00 6.04551142e+00 -8.82158434e+00 7 7.72208566e+00 -2.47082092e+01 -1.76613733e+01 8 -1.19278686e+01 -8.88763681e+00 -2.47880042e+00 9 -8.38886090e+00 -7.50107565e+00 -1.48873698e+01 10 -3.69318489e+00 1.65874973e+01 -1.74232533e+01 11 -3.61194060e+00 -1.28174838e+01 3.77260756e+00 12 -9.98486479e+00 1.39840592e+01 2.75453766e+00 13 -5.93233182e+00 -1.31461457e+01 -3.56157091e+01 14 7.84155324e+00 9.80288459e+00 -6.91293390e+00 15 3.19816680e+01 -8.10101142e+00 5.92742630e+00 16 3.35664835e+00 2.72441272e+01 1.17141439e+01 17 -1.38541192e+01 -7.08786622e+00 -3.97642822e+00 18 4.48358666e+00 1.14624224e+01 6.98994343e+00 19 6.81077623e+00 -8.41625658e+00 7.82136642e+00 20 -4.91112620e+00 8.31525837e+00 6.65034046e+00 21 -1.20746331e+01 -1.11843830e+01 3.45323203e+00 22 1.84153253e+01 1.94052776e+01 1.80537776e+01 23 7.48392236e+00 -4.44629107e+00 5.74250562e+00 24 -4.47625797e+00 6.58414286e+00 5.76182941e+00 25 -1.14056899e+01 -7.48655117e+00 6.98152798e+00 26 -5.05355700e+00 1.81784487e+01 -8.81210809e+00 27 1.01942876e+01 -2.98436171e+01 1.05049748e+01 28 -2.31547316e+01 1.92250695e+01 4.85586068e+00 29 -7.42801913e+00 -1.09629043e+01 8.17506175e+00 30 8.96029029e+00 1.37046661e+01 4.15194779e+00 31 1.43335782e+01 -7.31574235e+00 1.03282074e+01 32 7.95290518e+00 1.32351649e+01 1.41585312e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 46.3399305413 Forces: 1 2.65346523e+01 -1.69327374e+01 6.55267654e+00 2 -1.08302556e+01 7.97357337e+00 5.65604306e+00 3 3.25134377e+00 1.22889597e-01 -4.69309790e+00 4 1.04298150e+01 1.13713064e+01 -3.33120418e+00 5 1.72450702e+00 -5.24391623e+00 1.98856360e+00 6 -1.90443728e+01 2.84609041e+01 9.22187213e+00 7 -2.66433885e+00 -2.24280712e+01 -1.82428215e+01 8 -1.13544184e+01 -9.71462180e+00 -3.16053046e+00 9 -1.64050573e+01 -1.93889015e+01 1.27681283e+01 10 -9.10022234e+00 9.63246281e+00 -7.55033788e+00 11 -4.68016494e+00 -1.19389754e+01 2.88686221e+00 12 4.98680416e+00 5.85962986e+00 6.22380605e+00 13 -4.33656933e+00 -1.45361029e+01 -2.89762899e+01 14 -7.73662056e+00 2.37204585e+00 -9.17115764e+00 15 2.50297237e+01 -7.25916320e+00 5.01168294e+00 16 5.23296445e+00 1.98334680e+01 1.21459251e+01 17 9.03609728e+00 -1.30638144e+01 -3.93874879e+00 18 3.82642465e+00 1.02152419e+01 7.53719546e+00 19 6.62909144e+00 5.16753832e+00 6.29172230e+00 20 9.23552578e+00 2.11783647e+01 -6.13112138e+00 21 -1.15573839e+01 -3.09201770e+00 4.90373825e+00 22 -2.66227125e+00 2.92238655e+01 2.23319141e+01 23 -9.82808411e+00 -2.00502966e+01 -1.24332624e+01 24 -3.62537690e-01 1.07926837e+01 -1.35415351e+01 25 -4.36953928e+00 -9.46069747e+00 7.66346454e+00 26 -4.10375082e+00 5.15892695e+00 -1.03181706e+01 27 1.99518188e+01 -3.01989841e+01 -1.03394419e+01 28 -2.28683881e+01 1.92348641e+01 -7.31000698e+00 29 -6.37268474e+00 -9.89133366e+00 9.11209366e+00 30 -7.39152028e-01 5.27020857e+00 7.40513681e+00 31 1.13936291e+01 -8.42295606e+00 7.69067208e+00 32 1.17534144e+01 9.75461581e+00 3.74622957e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==17147== Memcheck, a memory error detector ==17147== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==17147== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==17147== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_002 ==17147== ==17147== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==17147== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==17147== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==17147== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==17147== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==17147== by 0x4010732: call_init (dl-init.c:72) ==17147== by 0x4010732: _dl_init (dl-init.c:119) ==17147== by 0x40151FE: dl_open_worker (dl-open.c:522) ==17147== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==17147== by 0x40147C9: _dl_open (dl-open.c:605) ==17147== by 0x544CF95: dlopen_doit (dlopen.c:66) ==17147== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==17147== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==17147== by 0x544D734: _dlerror_run (dlerror.c:162) ==17147== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==17147== ==17147== ==17147== HEAP SUMMARY: ==17147== in use at exit: 4,805,520 bytes in 3,907 blocks ==17147== total heap usage: 127,027 allocs, 123,120 frees, 59,388,923 bytes allocated ==17147== ==17147== LEAK SUMMARY: ==17147== definitely lost: 0 bytes in 0 blocks ==17147== indirectly lost: 0 bytes in 0 blocks ==17147== possibly lost: 182,191 bytes in 111 blocks ==17147== still reachable: 4,623,329 bytes in 3,796 blocks ==17147== suppressed: 0 bytes in 0 blocks ==17147== Rerun with --leak-check=full to see details of leaked memory ==17147== ==17147== For counts of detected and suppressed errors, rerun with: -v ==17147== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2510 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.