!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AcklandTichyVitek_1987v2_Ni__MO_769632475533_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 = 0.000262842854819 Forces: 1 -7.71997468e+00 -7.01541468e+00 -1.30501756e+01 2 -1.13276720e+01 2.13222551e+01 -7.86158163e+00 3 8.80340620e+00 -1.06553565e+01 4.63531064e+00 4 -8.13911434e+00 9.45430526e+00 6.36681583e+00 5 1.42916992e+01 -2.38053797e+01 2.30969351e+00 6 2.21365700e+00 2.14739876e+00 -3.20025556e+00 7 3.72874831e+00 -3.52671991e+01 -4.11861297e+01 8 -1.79490799e+01 -1.11628644e+01 -1.18776674e+01 9 -1.24401658e+01 -6.48809276e+00 -1.82364052e+01 10 -6.17219968e+00 1.96804700e+01 -2.15539558e+01 11 -2.18127752e+00 -1.52160598e+01 1.81268964e+01 12 -6.75024502e+00 9.45454413e+00 6.47088972e+00 13 -1.25838331e+01 -1.65064283e+01 -4.78975943e+01 14 4.91052773e+00 6.55685510e+00 -3.71410660e+00 15 4.23286349e+01 -3.50217037e+00 1.80435643e+01 16 6.27428759e+00 2.82693034e+01 1.99199156e+01 17 -1.88926846e+01 -1.13914162e+01 -1.59575294e+01 18 3.10976140e+00 8.22977539e+00 -2.94326719e+00 19 1.61701822e+01 -1.06303313e+01 1.17848488e+01 20 -4.83749925e+00 1.58483599e+01 1.33199965e+01 21 -1.63992580e+01 -9.53100491e+00 1.08934489e+01 22 2.56800538e+01 2.78619841e+01 3.08006752e+01 23 3.83214267e+00 -5.04548869e-01 6.08289811e+00 24 3.51250216e-01 -3.76767831e+00 4.64778212e+00 25 -9.02411727e+00 -1.12216965e+01 -8.90195694e+00 26 -4.42746351e+00 1.66903461e+01 -1.24334378e+01 27 2.48145170e+01 -4.25195607e+01 1.65683106e+01 28 -3.84381679e+01 3.69687884e+01 5.57079584e+00 29 -1.01423944e+01 1.11897323e+00 9.75116839e+00 30 5.98028368e+00 1.17641377e+01 -2.31352862e+00 31 1.60505494e+01 -9.61145255e+00 1.22140943e+01 32 8.88544557e+00 1.34291585e+01 1.36204871e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 27.1127917246 Forces: 1 4.22601073e+00 -1.06085717e+01 -3.76759833e+00 2 -2.08543617e+01 1.74031163e+01 1.04120452e+01 3 1.28053903e+01 3.46503650e+00 7.11225855e+00 4 -2.35190448e+00 1.05246182e+01 2.47053773e+00 5 2.44817642e+01 -6.71413123e+00 3.08298007e+00 6 -7.47923372e+00 1.41747536e+01 6.26686782e+00 7 1.45457809e+00 -3.37334650e+01 -4.10411924e+01 8 -1.72278462e+01 -1.18429838e+01 -1.19517986e+01 9 -2.85185701e+01 -1.59565489e+01 1.48855427e+01 10 -1.68945662e+01 4.93846745e+00 -1.34083770e+01 11 -3.12082403e+00 -1.47242309e+01 1.76580459e+01 12 -7.58199032e-01 -2.35095026e+00 1.14721261e+01 13 -1.17015415e+01 -1.69479563e+01 -4.25948117e+01 14 -8.51147624e+00 3.23768378e+00 -6.62320168e+00 15 3.92716995e+01 -4.36727190e+00 1.75419299e+01 16 6.54700694e+00 2.54832421e+01 2.01814858e+01 17 5.37673916e+00 -1.62140072e+01 -2.07132940e+01 18 2.37726623e+00 7.22745486e+00 -2.30724510e+00 19 1.48952226e+01 1.58904164e+00 1.19177750e+01 20 1.68751903e+00 2.27996025e+01 3.43033014e+00 21 -1.59257469e+01 -3.49184676e+00 1.13849775e+01 22 1.00662927e+01 3.90243695e+01 2.71003326e+01 23 -1.35837132e+01 -8.64283684e+00 3.86838279e+00 24 1.06473013e+01 1.27275968e+00 -1.33042589e+01 25 -4.52403205e+00 -1.33741253e+01 -8.65514600e+00 26 -3.40333166e+00 6.97411458e+00 -1.59051969e+01 27 4.20003412e+01 -4.17016243e+01 -1.10656742e+01 28 -3.71522912e+01 3.40250821e+01 4.20516552e-01 29 -9.48718967e+00 1.89325607e+00 1.05271705e+01 30 -1.03871882e+00 5.90347805e+00 -3.48332949e+00 31 1.40801814e+01 -1.05744361e+01 1.07258880e+01 32 1.26162333e+01 1.13089096e+01 4.36193133e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28288== Memcheck, a memory error detector ==28288== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==28288== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==28288== Command: python runner2.py EAM_Dynamo_AcklandTichyVitek_1987v2_Ni__MO_769632475533_000 ==28288== ==28288== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==28288== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==28288== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28288== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28288== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28288== by 0x4010732: call_init (dl-init.c:72) ==28288== by 0x4010732: _dl_init (dl-init.c:119) ==28288== by 0x40151FE: dl_open_worker (dl-open.c:522) ==28288== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28288== by 0x40147C9: _dl_open (dl-open.c:605) ==28288== by 0x544CF95: dlopen_doit (dlopen.c:66) ==28288== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28288== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==28288== by 0x544D734: _dlerror_run (dlerror.c:162) ==28288== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==28288== ==28288== ==28288== HEAP SUMMARY: ==28288== in use at exit: 9,927,025 bytes in 3,962 blocks ==28288== total heap usage: 112,725 allocs, 108,763 frees, 63,726,748 bytes allocated ==28288== ==28288== LEAK SUMMARY: ==28288== definitely lost: 0 bytes in 0 blocks ==28288== indirectly lost: 0 bytes in 0 blocks ==28288== possibly lost: 182,191 bytes in 111 blocks ==28288== still reachable: 9,744,834 bytes in 3,851 blocks ==28288== suppressed: 0 bytes in 0 blocks ==28288== Rerun with --leak-check=full to see details of leaked memory ==28288== ==28288== For counts of detected and suppressed errors, rerun with: -v ==28288== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 from 171) ================================================================================ 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.