!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LiuAdams_1998_AlMg__MO_019873715786_000 Supported species : Al Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 84.8762780495 Forces: 1 -5.79149304e+00 -6.87900314e+00 -7.14681529e+00 2 -1.62243808e+00 2.15066864e+00 -1.08811680e+01 3 3.28929954e+00 -1.05142283e+01 -1.54389710e+00 4 -9.40346008e+00 1.67894555e-01 3.73817391e+00 5 -1.81143008e+00 -1.28242751e+01 -9.08094252e+00 6 9.63887380e+00 3.04877085e+00 -1.19718712e+01 7 1.01236962e+01 -1.14124588e+01 9.72951260e-01 8 -3.97651879e+00 -4.62691510e+00 1.94446115e+00 9 -7.91296513e+00 -3.13392972e+00 -1.57318061e+01 10 1.48585952e+00 1.39475376e+01 -1.16069363e+01 11 -3.81697576e+00 -7.08086798e+00 3.67554769e+00 12 -1.23359031e+01 1.24718064e+01 3.86518691e+00 13 -1.88897617e-01 -3.00476428e+00 -1.74395170e+01 14 1.17503544e+01 1.05921965e+01 -9.47620358e+00 15 1.62187462e+01 -5.28646923e+00 3.60554919e-01 16 -8.43034143e-01 1.75031255e+01 2.66835359e+00 17 -1.57268794e+01 -8.07482069e+00 -3.91545176e+00 18 2.99606994e+00 7.76512052e+00 -1.73405549e-01 19 6.05797602e+00 -1.30132790e+01 1.00091253e+01 20 -7.88831730e+00 8.08229048e+00 8.81647360e+00 21 -5.97315613e+00 -1.14943887e+01 2.39996045e+00 22 1.33655075e+01 6.93667099e+00 2.32824983e+00 23 5.94000328e+00 -4.49644721e+00 8.72315504e+00 24 -1.48013189e+00 1.49249306e+00 7.35744228e+00 25 -1.22886987e+01 -5.02193509e+00 3.68013204e+00 26 1.04967682e+00 1.68931912e+01 -6.34153855e+00 27 -2.15509792e+00 -9.72085672e+00 1.00015689e+01 28 -9.42817177e+00 5.87236339e+00 5.60226887e+00 29 -3.20916979e+00 -8.48468990e+00 6.21405526e+00 30 1.01695698e+01 1.26674392e+01 1.92039467e-01 31 1.09463358e+01 -5.54510834e+00 9.28009140e+00 32 2.82076970e+00 1.10228684e+01 1.34797611e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 116.377455427 Forces: 1 -4.50703516e+00 -5.34377074e+00 -6.48816195e+00 2 6.20644842e-01 -1.43731329e+00 -9.36171916e+00 3 2.47639696e-01 -1.01493591e+01 -2.11325197e+00 4 -1.08130668e+01 1.52644542e+00 1.19146193e+00 5 8.28811245e-01 -7.20182760e+00 -7.86803222e+00 6 7.89587623e+00 2.55882067e-02 -7.70394045e+00 7 8.91760313e+00 -8.79103993e+00 -1.88443803e+00 8 -8.44295151e-01 5.95913768e-01 -1.75040253e+00 9 -1.00592295e+01 -1.24730205e+00 -8.69119446e+00 10 4.00864863e-01 1.00098656e+01 -1.00330285e+01 11 -3.17503275e-01 -3.35028776e+00 1.59463344e+00 12 -1.12978099e+01 9.05042780e+00 1.97771651e-01 13 2.90078372e+00 -1.36474975e+00 -1.04795280e+01 14 6.38699537e+00 4.76883604e+00 -4.66868865e+00 15 1.06330809e+01 1.86626871e+00 -1.14422357e+00 16 3.54112075e+00 1.11391938e+01 9.89460617e-01 17 -8.86713150e+00 -1.04998572e+01 9.10341050e-02 18 -3.10126165e-01 2.05228150e+00 -1.74938878e+00 19 2.30465095e+00 -8.50559103e+00 9.26689052e+00 20 -9.62033112e+00 8.27934736e-01 8.59031598e+00 21 -1.85049981e-01 -1.22411647e+01 1.43418094e+00 22 1.01794189e+01 4.54375565e-01 1.66959870e-01 23 5.45772502e+00 -6.04669403e+00 5.26866331e+00 24 -2.71739561e-01 -2.44019807e+00 1.18072357e+01 25 -1.11725659e+01 -1.58401654e+00 -2.38874782e-02 26 -3.15174164e-01 1.13563478e+01 3.34724699e+00 27 -1.13568116e+00 2.17812727e+00 1.20303177e+01 28 -4.30650927e+00 4.94428780e+00 4.68183469e+00 29 -1.16875671e+00 1.96942841e+00 -1.43607964e+00 30 7.72351533e+00 8.72857752e+00 -1.30227014e+00 31 8.71204891e+00 1.80233745e-01 8.03461753e+00 32 -1.55877457e+00 8.52903793e+00 8.00561051e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Mg (Configuration in file "config-F-AlMg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 107.018816523 Forces: 1 -8.39925462e+00 -5.24135361e+00 -5.97015466e+00 2 7.40347419e-02 5.19733540e+00 -9.96448827e+00 3 1.46726760e+00 -1.11757622e+01 4.16577820e+00 4 -5.91547038e+00 5.01373569e+00 1.69004400e+00 5 -1.94278009e+00 -1.04096518e+01 -1.02837037e+01 6 1.12890785e+01 1.50910716e+00 -1.19712454e+01 7 8.50532945e+00 -8.88050855e+00 4.50599215e+00 8 -3.78517967e+00 1.18399760e+00 2.94558034e+00 9 -7.16716029e+00 -2.55356054e+00 -7.33598666e+00 10 -1.72129903e-01 9.36712775e+00 -1.20384648e+01 11 -9.61984540e-01 -7.82964955e+00 1.54161554e+00 12 -1.11676060e+01 6.45102390e+00 4.25202230e+00 13 -2.22235777e-01 -1.48699386e+00 -7.92678407e+00 14 7.03336773e+00 6.79453102e+00 -5.43520219e+00 15 1.05623148e+01 3.09500634e+00 -1.88213104e-01 16 2.55141082e+00 9.41644667e+00 2.76205401e-01 17 -7.82007048e+00 -8.00018657e+00 -2.56898286e+00 18 -2.62754589e+00 2.32036642e+00 -6.30329262e+00 19 1.03690939e+00 -9.33085099e+00 1.15651796e+01 20 -1.02165951e+01 -5.23667691e-01 8.82478307e+00 21 -2.13757243e+00 -1.50465952e+01 -3.43245227e+00 22 1.09349148e+01 4.48668228e-01 -3.06568874e+00 23 9.64637649e+00 -8.47480688e+00 5.13695956e+00 24 -2.97169901e+00 1.41294820e+00 1.59790077e+01 25 -9.45607939e+00 2.37331486e+00 -6.13476926e+00 26 -2.01591818e+00 9.34742746e+00 1.16478617e-01 27 1.31773676e+00 -1.42116318e+00 1.09141549e+01 28 -6.19190011e+00 6.45509357e+00 4.51213991e+00 29 -2.80194746e-01 -9.46358274e-02 -2.49934257e+00 30 1.01374430e+01 1.15770265e+01 -2.60116259e+00 31 1.12038523e+01 1.92849634e+00 9.95993367e+00 32 -2.30865994e+00 6.57773333e+00 1.13340588e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==947== Memcheck, a memory error detector ==947== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==947== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==947== Command: python runner2.py EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 ==947== ==947== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==947== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==947== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==947== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==947== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==947== by 0x4010732: call_init (dl-init.c:72) ==947== by 0x4010732: _dl_init (dl-init.c:119) ==947== by 0x40151FE: dl_open_worker (dl-open.c:522) ==947== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==947== by 0x40147C9: _dl_open (dl-open.c:605) ==947== by 0x544CF95: dlopen_doit (dlopen.c:66) ==947== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==947== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==947== by 0x544D734: _dlerror_run (dlerror.c:162) ==947== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==947== ==947== ==947== HEAP SUMMARY: ==947== in use at exit: 7,319,012 bytes in 4,267 blocks ==947== total heap usage: 183,200 allocs, 178,933 frees, 77,509,321 bytes allocated ==947== ==947== LEAK SUMMARY: ==947== definitely lost: 0 bytes in 0 blocks ==947== indirectly lost: 0 bytes in 0 blocks ==947== possibly lost: 183,295 bytes in 113 blocks ==947== still reachable: 7,135,717 bytes in 4,154 blocks ==947== suppressed: 0 bytes in 0 blocks ==947== Rerun with --leak-check=full to see details of leaked memory ==947== ==947== For counts of detected and suppressed errors, rerun with: -v ==947== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2529 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.