!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Au__MO_684444719999_000 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 249.388372624 Forces: 1 -9.72728839e+00 -3.40270719e+01 -2.71530426e+01 2 -9.28195026e+00 9.78580963e+00 -2.51653808e+01 3 1.15619708e+01 -2.97861699e+01 -1.43906780e+01 4 -2.14987243e+01 2.21581149e+01 1.87140046e+01 5 8.76785729e+00 -3.20030178e+01 -1.26149037e+01 6 1.43500339e+01 5.79314269e+00 -1.74781054e+01 7 2.11335152e+01 -6.12245197e+01 -4.93109340e+01 8 -1.57933801e+01 -1.37663958e+01 -9.58945617e+00 9 -2.34838209e+01 -2.49782422e+01 -5.53881901e+01 10 -4.72838046e+00 4.79435177e+01 -4.82989881e+01 11 -1.58224690e+01 -3.08759071e+01 2.14333044e+01 12 -3.38577387e+01 4.08526948e+01 2.54364665e+01 13 -3.76126844e+00 -3.50891557e+01 -8.92750681e+01 14 2.29930786e+01 3.15625971e+01 -2.85427749e+01 15 8.18496504e+01 -2.19641343e+01 2.71115692e+01 16 -2.50807742e+00 7.62541295e+01 2.77811665e+01 17 -3.59618136e+01 -1.65818758e+01 4.34223737e+00 18 5.82682958e+00 2.19476071e+01 5.52770306e+00 19 3.21843561e+00 -2.81954941e+01 1.64697438e+01 20 -1.61095652e+01 8.93352086e+00 1.38977367e+01 21 -2.14572165e+01 -2.73770472e+01 1.92220906e+01 22 4.74053386e+01 4.32631751e+01 3.94376981e+01 23 9.61937211e+00 -5.44099810e+00 1.83708612e+01 24 8.95189239e+00 4.05780338e+00 1.71280088e+01 25 -3.10963551e+01 -7.57898434e+00 3.38035222e-01 26 -1.57178764e+01 4.65998489e+01 -1.61136077e+01 27 1.76676091e+01 -5.81505433e+01 3.08430814e+01 28 -5.43999601e+01 4.60085592e+01 1.36366132e+01 29 -1.23202304e+01 -2.20350066e+01 1.96242436e+01 30 2.51419371e+01 3.84897136e+01 -1.28996247e+00 31 3.17438855e+01 -2.72543061e+01 3.75410863e+01 32 1.72947091e+01 3.26786355e+01 3.77554417e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==9343== Memcheck, a memory error detector ==9343== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==9343== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==9343== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Au__MO_684444719999_000 ==9343== ==9343== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==9343== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==9343== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9343== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9343== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9343== by 0x4010732: call_init (dl-init.c:72) ==9343== by 0x4010732: _dl_init (dl-init.c:119) ==9343== by 0x40151FE: dl_open_worker (dl-open.c:522) ==9343== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9343== by 0x40147C9: _dl_open (dl-open.c:605) ==9343== by 0x544CF95: dlopen_doit (dlopen.c:66) ==9343== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9343== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==9343== by 0x544D734: _dlerror_run (dlerror.c:162) ==9343== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==9343== ==9343== ==9343== HEAP SUMMARY: ==9343== in use at exit: 5,937,277 bytes in 3,958 blocks ==9343== total heap usage: 110,781 allocs, 106,823 frees, 59,379,729 bytes allocated ==9343== ==9343== LEAK SUMMARY: ==9343== definitely lost: 0 bytes in 0 blocks ==9343== indirectly lost: 0 bytes in 0 blocks ==9343== possibly lost: 182,191 bytes in 111 blocks ==9343== still reachable: 5,755,086 bytes in 3,847 blocks ==9343== suppressed: 0 bytes in 0 blocks ==9343== Rerun with --leak-check=full to see details of leaked memory ==9343== ==9343== For counts of detected and suppressed errors, rerun with: -v ==9343== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 from 175) ================================================================================ 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.