!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Foiles_1985_Ni__MO_010059867259_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 = -8.67121117603 Forces: 1 -4.52457069e+00 -8.05542291e+00 -8.50593787e+00 2 -6.96096367e+00 1.06947996e+01 -5.06415999e+00 3 7.92736776e+00 -5.82456377e+00 -2.09726393e+00 4 -5.71978441e+00 6.91188979e+00 6.38483531e+00 5 1.77396008e+00 -1.65394609e+01 -9.76394675e-01 6 9.96313304e+00 6.60733371e+00 -9.35610114e+00 7 3.36872147e+00 -3.07681329e+01 -2.73662773e+01 8 -1.56110313e+01 -1.25886212e+01 5.98927603e+00 9 -6.31271568e+00 -8.39648920e+00 -1.29608733e+01 10 -5.57769959e+00 1.43020422e+01 -1.74809112e+01 11 -4.20678893e+00 -1.08873325e+01 5.39323344e+00 12 -7.02042627e+00 9.90997415e+00 6.15407848e+00 13 -1.18560045e+01 -1.04262705e+01 -4.29191181e+01 14 6.13650719e+00 8.76231221e+00 -5.09658487e+00 15 3.64336445e+01 -7.12111796e+00 1.27131237e+01 16 6.22039981e+00 2.78465427e+01 1.55435962e+01 17 -1.41535684e+01 -7.16581660e+00 -5.67873937e+00 18 8.39754822e+00 1.48195191e+01 -1.03332308e+01 19 8.26331459e+00 -1.43591808e+01 1.21429020e+01 20 -7.32729950e+00 7.94701930e+00 9.07755419e+00 21 -1.79902682e+01 -7.34947682e+00 2.22559191e+00 22 1.70432128e+01 2.71811561e+01 2.34580015e+01 23 7.10145174e+00 -7.16354496e-01 1.09906932e+01 24 -2.73011417e-01 -2.91233856e+00 3.80164162e+00 25 -1.18011264e+01 -8.45189969e+00 -4.13800207e+00 26 -5.33925631e+00 1.77696870e+01 -1.06996267e+01 27 1.69281358e+01 -3.49672681e+01 1.26848801e+01 28 -2.92358447e+01 2.73423966e+01 6.39094690e+00 29 -7.76779561e+00 -1.31485110e+01 3.15757119e+00 30 6.47016237e+00 1.25827810e+01 3.58383353e+00 31 1.68478883e+01 -6.88922585e+00 9.35655120e+00 32 8.80270795e+00 1.38900305e+01 1.36249108e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==32138== Memcheck, a memory error detector ==32138== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==32138== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==32138== Command: python runner2.py EAM_Dynamo_Foiles_1985_Ni__MO_010059867259_000 ==32138== ==32138== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==32138== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==32138== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32138== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32138== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32138== by 0x4010732: call_init (dl-init.c:72) ==32138== by 0x4010732: _dl_init (dl-init.c:119) ==32138== by 0x40151FE: dl_open_worker (dl-open.c:522) ==32138== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==32138== by 0x40147C9: _dl_open (dl-open.c:605) ==32138== by 0x544CF95: dlopen_doit (dlopen.c:66) ==32138== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==32138== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==32138== by 0x544D734: _dlerror_run (dlerror.c:162) ==32138== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==32138== ==32138== ==32138== HEAP SUMMARY: ==32138== in use at exit: 5,076,455 bytes in 3,957 blocks ==32138== total heap usage: 110,770 allocs, 106,813 frees, 58,259,175 bytes allocated ==32138== ==32138== LEAK SUMMARY: ==32138== definitely lost: 0 bytes in 0 blocks ==32138== indirectly lost: 0 bytes in 0 blocks ==32138== possibly lost: 182,191 bytes in 111 blocks ==32138== still reachable: 4,894,264 bytes in 3,846 blocks ==32138== suppressed: 0 bytes in 0 blocks ==32138== Rerun with --leak-check=full to see details of leaked memory ==32138== ==32138== For counts of detected and suppressed errors, rerun with: -v ==32138== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 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.