!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AcklandVitek_1990_Cu__MO_642748370624_000 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 = -60.6960421364 Forces: 1 -3.06769691e-01 -1.44314815e+00 -1.12114318e+00 2 -4.58502887e-01 4.81580626e-01 -1.68420572e+00 3 1.43937291e+00 -3.18392417e+00 -2.81930999e+00 4 -2.17883936e+00 1.12872650e+00 4.98491269e-01 5 -2.10553554e-01 -2.59833872e+00 -7.31694273e-01 6 1.02791803e+00 1.07066476e+00 -1.23833583e+00 7 2.19485830e+00 -4.23355845e+00 -2.62597178e+00 8 -2.54468074e+00 -2.04129523e+00 -1.19322952e+00 9 -2.85870194e+00 -1.80821226e+00 -3.76778937e+00 10 7.07617859e-01 4.61397334e+00 -3.22283288e+00 11 -1.08358919e+00 -2.80949550e+00 2.05742702e+00 12 -2.74187985e+00 2.67550929e+00 1.37493462e+00 13 7.76083475e-01 -2.35937038e+00 -6.61431576e+00 14 1.82618290e+00 1.78404140e+00 -1.48360194e+00 15 6.72153307e+00 -2.07973710e+00 -1.64305033e+00 16 -1.13407259e+00 6.73035216e+00 1.10669727e+00 17 -4.23703456e+00 -1.79336433e+00 -5.94331381e-01 18 8.00507989e-01 3.23715629e+00 9.06585713e-01 19 1.25420087e+00 -2.50023232e+00 2.65187443e+00 20 -1.25443309e+00 1.83018949e+00 1.60943433e+00 21 -1.76191047e+00 -3.69185447e+00 9.98996690e-01 22 4.65839052e+00 2.59585159e+00 2.24654419e+00 23 1.99221083e+00 -9.34085798e-01 1.71307616e+00 24 -1.59253433e+00 1.74242963e+00 1.45306773e+00 25 -3.15192638e+00 -2.13980078e+00 -1.09264441e+00 26 1.62433159e-01 4.41780581e+00 -2.43935481e+00 27 1.05157312e+01 -1.40014950e+01 3.57132152e+00 28 -1.24723963e+01 1.25654969e+01 2.11476119e+00 29 -2.98279983e+00 -2.23044973e+00 3.15402680e+00 30 2.80427263e+00 4.11871577e+00 1.22677648e+00 31 3.13965407e+00 -1.72386037e+00 2.65250313e+00 32 9.49656956e-01 2.57972928e+00 2.93529264e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -40.8202422801 Forces: 1 3.41496564e+00 -2.44680152e+00 1.44961183e+00 2 -1.48985261e+00 1.07668000e+00 1.60309386e+00 3 1.03589118e+00 1.71948063e-01 -2.83065805e+00 4 2.49748006e+00 2.70165353e+00 -7.05535074e-01 5 3.56039684e-01 -9.54417126e-01 4.59129191e-01 6 -2.31509102e+00 4.83057795e+00 2.22404071e+00 7 -9.19673084e-01 -3.23607826e+00 -2.77138745e+00 8 -2.81023087e+00 -1.94491007e+00 -1.15404252e+00 9 -4.07784011e+00 -4.21778443e+00 1.54756185e+00 10 2.05277451e-01 3.61011969e+00 -2.29333135e-01 11 -9.08626215e-01 -2.73230903e+00 2.25102306e+00 12 2.93443542e-01 8.86826246e-01 1.40632561e+00 13 1.02028505e+00 -2.88596495e+00 -4.16490600e+00 14 -1.11603082e+00 8.21348007e-01 -2.45951061e+00 15 4.17850176e+00 -2.09697863e+00 -1.59954200e+00 16 -9.98294232e-01 3.96061946e+00 1.21422565e+00 17 4.12393811e-01 -2.68431291e+00 -4.61241577e-01 18 1.07525672e+00 3.38431361e+00 9.14210899e-01 19 1.34588349e+00 7.26845773e-01 1.77984796e+00 20 3.07466461e+00 5.07634088e+00 -1.21100238e+00 21 -2.00380685e+00 -1.20838351e+00 1.52936984e+00 22 4.51683947e-01 4.46893012e+00 2.70106402e+00 23 -2.97901207e+00 -5.09601783e+00 -1.44938125e+00 24 -8.67730937e-01 2.77359166e+00 -2.72359431e+00 25 -4.17571994e-01 -2.76641719e+00 -7.64027302e-01 26 6.96666769e-01 6.72985060e-02 -2.52804239e+00 27 1.20800006e+01 -1.47845951e+01 -1.49357599e+00 28 -1.32265394e+01 1.26702001e+01 -4.89560572e-01 29 -2.95674810e+00 -2.16813491e+00 3.10403630e+00 30 7.28846610e-01 2.09638660e+00 2.33407048e+00 31 2.10932259e+00 -1.90663142e+00 1.72089491e+00 32 2.11044484e+00 1.80605669e+00 7.96834459e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28511== Memcheck, a memory error detector ==28511== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==28511== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==28511== Command: python runner2.py EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 ==28511== ==28511== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==28511== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==28511== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28511== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28511== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28511== by 0x4010732: call_init (dl-init.c:72) ==28511== by 0x4010732: _dl_init (dl-init.c:119) ==28511== by 0x40151FE: dl_open_worker (dl-open.c:522) ==28511== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28511== by 0x40147C9: _dl_open (dl-open.c:605) ==28511== by 0x544CF95: dlopen_doit (dlopen.c:66) ==28511== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28511== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==28511== by 0x544D734: _dlerror_run (dlerror.c:162) ==28511== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==28511== ==28511== ==28511== HEAP SUMMARY: ==28511== in use at exit: 9,927,767 bytes in 3,962 blocks ==28511== total heap usage: 112,903 allocs, 108,941 frees, 63,750,517 bytes allocated ==28511== ==28511== LEAK SUMMARY: ==28511== definitely lost: 0 bytes in 0 blocks ==28511== indirectly lost: 0 bytes in 0 blocks ==28511== possibly lost: 182,191 bytes in 111 blocks ==28511== still reachable: 9,745,576 bytes in 3,851 blocks ==28511== suppressed: 0 bytes in 0 blocks ==28511== Rerun with --leak-check=full to see details of leaked memory ==28511== ==28511== For counts of detected and suppressed errors, rerun with: -v ==28511== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2499 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.