!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Pt__MO_601539325066_000 Supported species : Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 91.8127090337 Forces: 1 -1.08494763e+01 -1.29195703e+01 -1.65208436e+01 2 -8.02236263e+00 1.25658188e+01 -1.95644876e+01 3 -2.14008634e+00 -1.70685625e+01 1.08795955e+01 4 -1.46315964e+01 9.79089373e+00 5.12147794e+00 5 1.58158807e+01 -2.27250825e+01 -1.39246066e+01 6 8.64642549e+00 2.07863008e+00 -1.36223048e+01 7 1.44577082e+01 -3.66500424e+01 -2.36641631e+01 8 -1.58597625e+01 -2.53023239e+01 -8.51523423e+00 9 -9.58952884e+00 -1.20861162e+01 -2.22005858e+01 10 -7.18703056e+00 2.40705652e+01 -2.60963779e+01 11 -1.95900308e+01 -1.65596581e+01 -1.87326034e+01 12 -1.86582632e+01 1.94282939e+01 8.71358940e+00 13 2.40821744e+00 -1.34299298e+01 -5.07815488e+01 14 1.09050601e+01 1.07351406e+01 -9.64263490e+00 15 5.06663773e+01 -4.15094378e-01 -6.63391084e+00 16 9.84699784e+00 5.02893378e+01 5.10578225e+00 17 -1.90362817e+01 -1.10518298e+01 -3.41974683e+00 18 2.74469208e+00 3.98468425e+00 -5.70040564e+00 19 8.35450166e+00 -2.48734174e+01 1.74215594e+01 20 -1.62617793e+01 9.92708772e+00 1.26279294e+01 21 -1.30414559e+01 -2.04263684e+01 1.28592760e+01 22 3.19796433e+01 1.63016936e+01 2.41596897e+01 23 5.61710478e+00 -3.27018397e+00 9.90071303e+00 24 3.82109432e+00 -1.05733991e+01 1.75625507e+01 25 -3.66766045e+01 -4.17899146e+00 6.61256109e+00 26 -1.22530199e+01 4.40644566e+01 -1.94338437e+00 27 -4.89092365e+00 -2.41723598e+01 2.73333717e+01 28 -2.51659470e+01 1.96575762e+01 1.04753096e+01 29 1.02302792e+01 -1.00731561e+01 2.36339604e+01 30 1.77968720e+01 2.11306390e+01 9.06587620e+00 31 2.49106538e+01 -3.69151353e+00 1.47321918e+01 32 1.56526413e+01 2.54427820e+01 2.47574043e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==10194== Memcheck, a memory error detector ==10194== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==10194== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==10194== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pt__MO_601539325066_000 ==10194== ==10194== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==10194== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==10194== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10194== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10194== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10194== by 0x4010732: call_init (dl-init.c:72) ==10194== by 0x4010732: _dl_init (dl-init.c:119) ==10194== by 0x40151FE: dl_open_worker (dl-open.c:522) ==10194== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10194== by 0x40147C9: _dl_open (dl-open.c:605) ==10194== by 0x544CF95: dlopen_doit (dlopen.c:66) ==10194== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10194== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==10194== by 0x544D734: _dlerror_run (dlerror.c:162) ==10194== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==10194== ==10194== ==10194== HEAP SUMMARY: ==10194== in use at exit: 5,913,005 bytes in 3,957 blocks ==10194== total heap usage: 110,780 allocs, 106,823 frees, 59,284,305 bytes allocated ==10194== ==10194== LEAK SUMMARY: ==10194== definitely lost: 0 bytes in 0 blocks ==10194== indirectly lost: 0 bytes in 0 blocks ==10194== possibly lost: 182,191 bytes in 111 blocks ==10194== still reachable: 5,730,814 bytes in 3,846 blocks ==10194== suppressed: 0 bytes in 0 blocks ==10194== Rerun with --leak-check=full to see details of leaked memory ==10194== ==10194== For counts of detected and suppressed errors, rerun with: -v ==10194== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 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.