!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Mendelev_2018_Tb__MO_522239651961_000 Supported species : Tb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Tb (Configuration in file "config-F-Tb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 62237.9419819 Forces: 1 -2.47763845e+03 -2.31381106e+03 -2.29737174e+03 2 -2.82281628e+03 -4.46261621e+03 -9.26581965e+03 3 -3.15132539e+03 -9.08207172e+03 -2.59500311e+03 4 -8.63943548e+03 -2.83382767e+03 -2.95362486e+03 5 7.69179547e+02 -5.91403956e+03 -4.81568851e+03 6 4.24505596e+03 -2.77172070e+03 -5.07554681e+03 7 6.36091995e+03 -8.22033190e+03 -1.82771088e+03 8 8.68660435e+03 -1.26657399e+04 -7.35147226e+03 9 -5.33536203e+03 1.23969957e+03 -5.91777465e+03 10 -2.98627230e+03 7.02206159e+03 -7.39356281e+03 11 -1.36548027e+04 3.91378142e+03 -1.03186661e+04 12 -6.19023574e+03 4.74857109e+03 -2.10249981e+03 13 4.87371386e+03 3.59732751e+03 -1.66570222e+04 14 4.22146868e+03 3.95559002e+03 -3.75410855e+03 15 1.73609454e+04 4.37221551e+03 -4.63038710e+03 16 3.03724137e+03 1.85020423e+04 -4.41051992e+03 17 -4.72189556e+03 -4.21645193e+03 8.63522596e+02 18 -8.30312539e+03 -9.97475046e+03 7.40876154e+03 19 -1.58729154e+03 -4.87782044e+03 4.16273594e+03 20 -3.88494063e+03 -1.74360353e+03 3.77632881e+03 21 2.79780758e+03 -9.05126743e+03 3.89679565e+03 22 9.77404822e+03 -4.13842489e+03 3.79712204e+03 23 2.28284118e+03 -2.02771692e+03 2.71588259e+03 24 1.56363769e+03 -3.31453190e+03 9.52533100e+03 25 -1.30890862e+04 3.47284404e+03 3.74969936e+03 26 -4.75679007e+03 1.33643555e+04 5.75316079e+03 27 -4.29909796e+03 1.47024172e+03 1.05334117e+04 28 -3.34063466e+03 2.66946979e+03 3.39623156e+03 29 9.33805736e+03 6.14198402e+03 1.43156783e+04 30 6.88834634e+03 5.86313544e+03 2.67356788e+03 31 5.97707339e+03 2.09706586e+03 6.92302522e+03 32 1.06380948e+03 5.17834087e+03 7.87552401e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = Tb (Configuration in file "config-T-Tb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2425686.09865 Forces: 1 1.04687242e+04 3.28381762e+03 -5.15060725e+03 2 -1.77426472e+03 4.06081796e+03 9.08300165e+03 3 1.30649068e+04 2.43579305e+04 2.31951570e+03 4 1.75400031e+04 2.11411473e+04 -2.17501345e+03 5 5.08649853e+03 1.40588108e+04 -1.45005279e+04 6 -1.92982241e+04 3.01175010e+04 -1.84373295e+04 7 -1.57405007e+04 -4.40222735e+03 -7.61748530e+03 8 -1.78051644e+04 -1.47573676e+04 4.57613732e+03 9 -2.35135083e+04 -3.01914784e+04 -4.58867659e+03 10 -1.87212575e+03 1.29583359e+04 -1.34375101e+04 11 -1.40670510e+04 -3.44544170e+04 6.40480138e+03 12 -3.12089776e+03 -6.44216958e+03 6.25801481e+03 13 1.14967048e+04 -2.69201346e+04 -4.10396078e+04 14 -8.73648178e+03 -2.22275091e+03 -2.71186556e+04 15 2.50671566e+04 -1.66904925e+04 2.07888219e+03 16 7.10092699e+03 2.05827089e+04 1.09490382e+04 17 9.04327950e+03 6.73366939e+02 1.32763376e+04 18 9.76799972e+03 1.20681791e+04 7.44143489e+02 19 1.27472864e+04 1.47559905e+04 6.27072725e+02 20 -1.18860369e+02 3.35852797e+04 -9.29404754e+03 21 -1.11283914e+04 1.28052552e+04 2.16704737e+04 22 -7.20099396e+03 3.46912391e+04 3.46138584e+04 23 -2.85169459e+04 -2.72198701e+03 -8.56286411e+03 24 2.74187107e+04 5.59137676e+03 -1.88309958e+04 25 -1.16660884e+04 -2.45564970e+04 1.23147677e+04 26 -7.02822139e+02 5.09076484e+03 1.82784451e+03 27 1.60536319e+03 -3.02356652e+04 -1.22626653e+04 28 -2.49030683e+04 -1.79458216e+03 -8.44760257e+03 29 5.28201589e+03 -2.79235947e+04 3.20762081e+04 30 -2.29912385e+02 -4.65128159e+03 2.13758456e+04 31 5.34851857e+03 -2.50469485e+04 1.22025074e+04 32 2.93572064e+04 3.18907183e+03 -9.34861780e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4357== Memcheck, a memory error detector ==4357== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4357== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==4357== Command: python runner2.py EAM_Dynamo_Mendelev_2018_Tb__MO_522239651961_000 ==4357== ==4357== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==4357== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==4357== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==4357== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==4357== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==4357== by 0x4010732: call_init (dl-init.c:72) ==4357== by 0x4010732: _dl_init (dl-init.c:119) ==4357== by 0x40151FE: dl_open_worker (dl-open.c:522) ==4357== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==4357== by 0x40147C9: _dl_open (dl-open.c:605) ==4357== by 0x544CF95: dlopen_doit (dlopen.c:66) ==4357== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==4357== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==4357== by 0x544D734: _dlerror_run (dlerror.c:162) ==4357== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==4357== ==4357== ==4357== HEAP SUMMARY: ==4357== in use at exit: 10,151,447 bytes in 3,961 blocks ==4357== total heap usage: 119,353 allocs, 115,392 frees, 64,552,295 bytes allocated ==4357== ==4357== LEAK SUMMARY: ==4357== definitely lost: 0 bytes in 0 blocks ==4357== indirectly lost: 0 bytes in 0 blocks ==4357== possibly lost: 182,191 bytes in 111 blocks ==4357== still reachable: 9,969,256 bytes in 3,850 blocks ==4357== suppressed: 0 bytes in 0 blocks ==4357== Rerun with --leak-check=full to see details of leaked memory ==4357== ==4357== For counts of detected and suppressed errors, rerun with: -v ==4357== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2502 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.