!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Marinica_2011_Fe__MO_255315407910_000 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 46.9807976596 Forces: 1 -1.32198308e+01 -1.19166016e+01 -2.41677484e+01 2 -1.16922436e+01 1.68660946e+01 -5.49075919e+00 3 2.62498219e+01 -2.17807666e+01 -5.23728869e+00 4 -1.29317880e+01 1.96902906e+01 8.49246785e+00 5 3.10645818e+00 -2.68132724e+01 1.35398342e+00 6 1.32443846e+01 1.34260754e+01 -1.18378433e+01 7 7.97309159e+00 -5.37896481e+01 -4.81250721e+01 8 -3.11945011e+01 -1.92974477e+01 -8.99904311e+00 9 -1.92685928e+01 -1.47037505e+01 -2.91816228e+01 10 -1.08899037e+01 3.38839064e+01 -3.41704008e+01 11 -6.53038754e+00 -2.65740569e+01 2.87046757e+01 12 -1.04874714e+01 1.91329534e+01 7.30267606e+00 13 -1.26132525e+01 -2.80563699e+01 -7.13141533e+01 14 1.06939726e+01 1.62056587e+01 -8.80459070e+00 15 6.45639975e+01 -1.38997388e+01 1.75296384e+01 16 1.07739102e+01 4.89847509e+01 2.85063796e+01 17 -2.61749942e+01 -6.06373015e+00 1.15652235e+00 18 1.17784247e+01 1.57154939e+01 1.97286192e+00 19 2.00718628e+01 -1.87363218e+01 1.05988325e+01 20 -1.22726931e+01 1.80546645e+01 1.02692226e+01 21 -3.35276431e+01 -1.32542211e+01 4.75550961e+00 22 3.29915648e+01 4.37533541e+01 4.23533273e+01 23 1.22801942e+01 -1.34840954e-02 1.82564154e+01 24 -2.21801138e+00 -4.84392358e+00 1.64041919e+00 25 -1.29900274e+01 -1.38885213e+01 2.59275141e+00 26 -1.31242706e+01 2.97931323e+01 -1.75291762e+01 27 2.30360038e+01 -5.96374970e+01 1.32184689e+01 28 -4.48254299e+01 4.06829347e+01 7.52628696e+00 29 -1.67097990e+01 -1.41980308e+01 1.30069897e+01 30 9.07666754e+00 1.99852184e+01 8.15750641e+00 31 2.90233810e+01 -1.17886776e+01 1.46982741e+01 32 1.58071046e+01 2.30815319e+01 2.27644892e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 112.663765225 Forces: 1 1.62153124e+01 -2.79747072e+01 -9.56295554e+00 2 -3.50054195e+01 7.00367888e+00 3.07327132e+01 3 3.44698640e+01 -2.77355160e-01 -2.92166881e-01 4 -3.37935911e+00 2.21607520e+01 9.00706282e-01 5 9.56889565e+00 -1.34216434e+01 5.97627973e+00 6 -1.13553301e+01 5.25186123e+01 2.12992111e+01 7 1.67900141e+00 -5.10503438e+01 -5.14184277e+01 8 -2.99985606e+01 -1.97827684e+01 -1.00795595e+01 9 -4.04296124e+01 -4.78321935e+01 3.39457023e+01 10 -2.30897051e+01 2.37007912e+01 -1.85953481e+01 11 -6.80803534e+00 -2.52817648e+01 2.75832775e+01 12 7.96486035e+00 -2.11907577e+00 1.57156024e+01 13 -1.04109980e+01 -2.80849795e+01 -6.30669467e+01 14 -1.91485573e+01 1.35678106e+01 -2.28770608e+01 15 6.15999634e+01 -1.57233286e+01 1.65344170e+01 16 1.11060011e+01 4.76566584e+01 2.82105741e+01 17 9.09394799e+00 -3.03539808e+01 8.61733381e+00 18 1.13000659e+01 1.50498660e+01 2.19186909e+00 19 1.93740538e+01 1.19516115e+00 1.49613368e+01 20 -8.08489342e+00 2.95229331e+01 -5.72798309e+00 21 -3.31650591e+01 -7.27137415e+00 5.75416776e+00 22 1.41723241e+00 6.94224644e+01 4.24815151e+01 23 5.48420726e+00 -2.72575641e+01 -2.02740578e+01 24 2.37512176e+01 7.67277787e+00 -3.33483607e+01 25 -8.04774272e+00 -1.73945833e+01 2.37874921e+00 26 -1.16153909e+01 1.44377728e+01 -2.53207473e+01 27 4.81809793e+01 -5.93319898e+01 -2.50590309e+01 28 -5.34769992e+01 6.12269815e+01 -2.38904615e+01 29 -1.59921954e+01 -1.34508867e+01 1.38316230e+01 30 -2.60950367e+00 1.32403898e+01 1.55177488e+01 31 2.82023512e+01 -1.28078611e+01 1.50804300e+01 32 2.32094081e+01 2.10397503e+01 7.79984919e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1914== Memcheck, a memory error detector ==1914== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1914== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1914== Command: python runner2.py EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000 ==1914== ==1914== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==1914== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==1914== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1914== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1914== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1914== by 0x4010732: call_init (dl-init.c:72) ==1914== by 0x4010732: _dl_init (dl-init.c:119) ==1914== by 0x40151FE: dl_open_worker (dl-open.c:522) ==1914== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1914== by 0x40147C9: _dl_open (dl-open.c:605) ==1914== by 0x544CF95: dlopen_doit (dlopen.c:66) ==1914== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1914== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==1914== by 0x544D734: _dlerror_run (dlerror.c:162) ==1914== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==1914== ==1914== ==1914== HEAP SUMMARY: ==1914== in use at exit: 56,052,951 bytes in 3,961 blocks ==1914== total heap usage: 114,082 allocs, 110,121 frees, 115,720,397 bytes allocated ==1914== ==1914== LEAK SUMMARY: ==1914== definitely lost: 0 bytes in 0 blocks ==1914== indirectly lost: 0 bytes in 0 blocks ==1914== possibly lost: 182,191 bytes in 111 blocks ==1914== still reachable: 55,870,760 bytes in 3,850 blocks ==1914== suppressed: 0 bytes in 0 blocks ==1914== Rerun with --leak-check=full to see details of leaked memory ==1914== ==1914== For counts of detected and suppressed errors, rerun with: -v ==1914== 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.