!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_000 Supported species : Pd random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 131.282812516 Forces: 1 -1.19629488e+01 -2.44073183e+01 -2.78986600e+01 2 -8.36481836e+00 1.44605847e+01 -2.13665973e+01 3 1.23168988e+01 -2.12502270e+01 -2.67890237e-01 4 -1.80318978e+01 2.22247373e+01 1.40224453e+01 5 1.50805649e+01 -2.82485388e+01 -5.11278152e+00 6 8.98432944e+00 -4.59678051e+00 -1.29486173e+01 7 1.41679216e+01 -4.73241040e+01 -4.31739779e+01 8 -3.19210801e+01 -2.90126516e+01 -2.77896717e+00 9 -1.98045663e+01 -9.26289357e+00 -3.11137443e+01 10 -7.26392630e+00 3.56560699e+01 -3.51937244e+01 11 -1.57444166e+01 -2.40203882e+01 1.66794908e+01 12 -1.99700811e+01 2.11460136e+01 9.23959156e+00 13 -4.21019329e+00 -1.19144588e+01 -7.03546156e+01 14 1.23919134e+01 1.33126515e+01 -8.26342249e+00 15 7.05421297e+01 1.11390364e+01 1.44302789e+01 16 1.30067123e+01 5.33872208e+01 2.07133250e+01 17 -3.25737243e+01 -1.83215076e+01 -4.10947114e+00 18 1.27816380e+01 1.69482150e+01 -6.90780508e+00 19 1.03900725e+01 -2.49951143e+01 1.81074326e+01 20 -1.50585983e+01 1.11196374e+01 1.76259462e+01 21 -1.69692234e+01 -2.03525966e+01 1.39445576e+01 22 3.77306972e+01 2.88905697e+01 3.18366668e+01 23 6.01394322e+00 -3.85641530e+00 1.32252165e+01 24 7.74346951e+00 4.30313149e+00 1.26555007e+01 25 -2.39048051e+01 -7.67600002e+00 -3.85697743e+00 26 -1.03634479e+01 3.61647102e+01 -1.27935011e+01 27 1.30002656e+01 -4.23258783e+01 2.62208489e+01 28 -3.99757626e+01 3.41623218e+01 1.24166191e+01 29 -1.09858305e+01 -1.44458900e+01 1.73176348e+01 30 1.71075464e+01 2.49412986e+01 -8.72108450e+00 31 2.29968239e+01 -2.02190429e+01 2.78077085e+01 32 1.28503945e+01 2.43736073e+01 2.86185743e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 439.736590806 Forces: 1 1.16052688e+01 -3.38067496e+01 -1.29178481e+01 2 -6.66027567e+01 2.56337746e+01 7.93476011e+01 3 2.16974611e+01 6.84629248e+00 7.95818860e+00 4 2.58275522e+01 3.54727919e+01 3.01145996e+01 5 3.71390842e+01 -5.11406924e+00 7.96464456e+00 6 -3.73176463e+01 2.75482556e+01 3.64201147e+00 7 -8.40775310e+00 -4.70661124e+01 -4.45858152e+01 8 -3.60066087e+01 -2.76790169e+01 -5.87430925e-01 9 -3.26830841e+01 -3.71487656e+01 1.85485077e+01 10 -1.81330105e+01 8.90815461e+00 -1.63621482e+01 11 -1.25793715e+01 -2.75347970e+01 2.28403290e+01 12 3.42987923e-01 -1.52244715e+00 3.29582423e+01 13 -6.50028578e+00 -1.96848126e+01 -5.39722597e+01 14 -2.43069858e+01 1.18523437e+01 -2.14355198e+01 15 5.58590491e+01 1.03707503e+01 1.99764289e+01 16 1.51429506e+01 3.76044436e+01 2.72538995e+01 17 5.56765518e+00 -3.32840794e+01 -1.20194237e+01 18 1.97060621e+01 2.20952196e+01 -1.11669221e+01 19 1.71328475e+01 -2.59376530e+00 1.18380720e+01 20 4.98676149e+01 5.80092281e+01 -5.54989580e+00 21 -2.34369721e+01 -2.14821876e+00 1.24613132e+01 22 7.81243925e-01 5.94556852e+01 2.93451273e+01 23 -6.51806999e+01 -5.27383773e+01 -6.84869101e+00 24 6.78939144e+01 1.45536405e+01 -8.99316584e+01 25 -8.63883394e+00 -1.48110660e+01 -6.29979944e+00 26 -6.29757929e+00 1.24117296e+01 -2.25839972e+01 27 4.07582238e+01 -5.47081799e+01 -1.99023086e+01 28 -4.61516684e+01 4.04282176e+01 -8.48252672e+00 29 -1.30585374e+01 -1.70542204e+01 1.50907358e+01 30 1.69274635e-01 1.33890954e+01 -1.50065992e+01 31 1.39413678e+01 -2.75337204e+01 2.08551387e+01 32 2.18692353e+01 1.98487751e+01 7.45800438e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==31907== Memcheck, a memory error detector ==31907== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==31907== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==31907== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_000 ==31907== ==31907== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==31907== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==31907== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31907== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31907== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31907== by 0x4010732: call_init (dl-init.c:72) ==31907== by 0x4010732: _dl_init (dl-init.c:119) ==31907== by 0x40151FE: dl_open_worker (dl-open.c:522) ==31907== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31907== by 0x40147C9: _dl_open (dl-open.c:605) ==31907== by 0x544CF95: dlopen_doit (dlopen.c:66) ==31907== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31907== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==31907== by 0x544D734: _dlerror_run (dlerror.c:162) ==31907== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==31907== ==31907== ==31907== HEAP SUMMARY: ==31907== in use at exit: 5,106,421 bytes in 3,962 blocks ==31907== total heap usage: 114,195 allocs, 110,233 frees, 58,437,066 bytes allocated ==31907== ==31907== LEAK SUMMARY: ==31907== definitely lost: 0 bytes in 0 blocks ==31907== indirectly lost: 0 bytes in 0 blocks ==31907== possibly lost: 182,191 bytes in 111 blocks ==31907== still reachable: 4,924,230 bytes in 3,851 blocks ==31907== suppressed: 0 bytes in 0 blocks ==31907== Rerun with --leak-check=full to see details of leaked memory ==31907== ==31907== For counts of detected and suppressed errors, rerun with: -v ==31907== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2501 from 172) ================================================================================ 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.