!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 200.203462001 Forces: 1 -2.33742820e+01 -2.37475996e+01 -3.56401792e+01 2 -2.10027411e+01 3.73097331e+01 -2.40774870e+01 3 8.78665516e+00 -2.46865007e+01 2.34469472e+01 4 -1.71766481e+01 2.11454135e+01 1.53165919e+01 5 1.86809669e+01 -4.77200996e+01 -1.50574719e+01 6 2.53253536e+01 1.31056760e+01 -2.75348640e+01 7 1.15274221e+01 -9.02685433e+01 -7.64746231e+01 8 -3.74709408e+01 -3.43839892e+01 1.32917387e+01 9 -8.62900309e+00 -4.50248340e+01 -4.80248748e+01 10 -8.75874009e+00 3.68280743e+01 -4.91432142e+01 11 -5.54965939e-01 -3.20511610e+01 -4.20323540e+01 12 -3.43382814e+01 4.62683942e+01 3.77486395e+01 13 -4.19407731e+01 -2.90598519e+01 -1.27858143e+02 14 2.29452834e+01 2.95781221e+01 -1.96991042e+01 15 1.12604476e+02 -2.00411125e+01 3.90711406e+01 16 1.47269497e+01 8.71435286e+01 3.72278311e+01 17 -3.27047756e+01 -2.19977347e+01 -2.09551410e+01 18 1.51416147e+01 1.29067599e+01 -7.46942542e-01 19 1.49131463e+01 -3.37409240e+01 2.36536967e+01 20 -1.68779249e+01 2.35271621e+01 2.15522664e+01 21 -3.79446592e+01 -3.11106504e+01 1.30456567e+01 22 5.52546650e+01 7.87252301e+01 6.70772268e+01 23 1.89285555e+01 -9.12548272e+00 1.96783533e+01 24 -7.08881411e-01 1.86668330e+01 1.76867381e+01 25 -6.58469679e+01 -1.07341925e+01 1.97003226e+01 26 -1.57621191e+01 6.43523281e+01 -2.27783843e+01 27 5.04223540e+01 -1.07101399e+02 3.63195878e+01 28 -9.00513319e+01 7.91502827e+01 1.62676789e+01 29 -8.52072162e+00 -4.17306424e+01 2.40443094e+01 30 2.51191830e+01 3.99895896e+01 6.36284349e+00 31 4.29163699e+01 -2.73681091e+01 3.46840841e+01 32 2.43707618e+01 4.11957001e+01 4.38471298e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 407.594615046 Forces: 1 7.73857297e+01 -5.38871987e+01 9.54080813e+00 2 -7.69099222e+01 4.77360799e+01 4.99656948e+01 3 2.58647414e+00 2.18328126e+01 4.15293356e+01 4 3.94523869e+01 3.95190407e+01 -6.66243884e+00 5 3.58931051e+01 -3.26305217e+01 1.04061631e+01 6 -8.16360451e+01 1.09704991e+02 5.27288727e+01 7 -1.88790572e+01 -8.90605867e+01 -7.96295788e+01 8 -3.64515412e+01 -3.75372303e+01 1.06496886e+01 9 -3.93245986e+01 -8.80951528e+01 5.14969282e+01 10 -2.43911417e+01 -2.66208814e+00 -3.23909342e+01 11 -4.25891329e+00 -2.92648609e+01 -4.57934526e+01 12 3.51978691e+01 1.10048591e+01 8.23881173e+01 13 -3.77423511e+01 -3.42292885e+01 -1.09475721e+02 14 -6.01503622e+01 2.12607235e+01 -5.01476781e+01 15 9.65690293e+01 -1.86916517e+01 3.92549496e+01 16 2.16153608e+01 7.19551012e+01 3.92653330e+01 17 4.50327421e+01 -5.23339279e+01 -2.38716094e+01 18 1.31870430e+01 9.94078360e+00 1.50874848e+00 19 1.44841210e+01 6.69841798e+00 2.27496461e+01 20 4.60961353e+01 7.81157966e+01 -1.88878297e+01 21 -4.07035050e+01 -1.06195460e+01 1.63061050e+01 22 -1.47637458e+01 1.17987564e+02 8.10471800e+01 23 -4.55949995e+01 -9.56780858e+01 -6.53968501e+01 24 5.22027427e+01 3.15148313e+01 -7.63395722e+01 25 -4.71159195e+01 -1.85830485e+01 1.96537072e+01 26 -1.43217770e+01 3.43369157e+01 -3.55457286e+01 27 8.89309048e+01 -1.09483852e+02 -3.51816020e+01 28 -9.48803846e+01 9.07584083e+01 -2.59427487e+01 29 -6.31614637e+00 -3.98300432e+01 2.61152713e+01 30 4.52080069e+00 1.79743486e+01 7.19390510e+00 31 3.38616897e+01 -3.12946186e+01 2.97475387e+01 32 3.64242761e+01 3.35410283e+01 1.37177514e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1699== Memcheck, a memory error detector ==1699== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1699== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1699== Command: python runner2.py EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 ==1699== ==1699== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==1699== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==1699== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1699== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1699== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1699== by 0x4010732: call_init (dl-init.c:72) ==1699== by 0x4010732: _dl_init (dl-init.c:119) ==1699== by 0x40151FE: dl_open_worker (dl-open.c:522) ==1699== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1699== by 0x40147C9: _dl_open (dl-open.c:605) ==1699== by 0x544CF95: dlopen_doit (dlopen.c:66) ==1699== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1699== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==1699== by 0x544D734: _dlerror_run (dlerror.c:162) ==1699== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==1699== ==1699== ==1699== HEAP SUMMARY: ==1699== in use at exit: 56,052,071 bytes in 3,960 blocks ==1699== total heap usage: 114,082 allocs, 110,122 frees, 115,720,427 bytes allocated ==1699== ==1699== LEAK SUMMARY: ==1699== definitely lost: 0 bytes in 0 blocks ==1699== indirectly lost: 0 bytes in 0 blocks ==1699== possibly lost: 182,191 bytes in 111 blocks ==1699== still reachable: 55,869,880 bytes in 3,849 blocks ==1699== suppressed: 0 bytes in 0 blocks ==1699== Rerun with --leak-check=full to see details of leaked memory ==1699== ==1699== For counts of detected and suppressed errors, rerun with: -v ==1699== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2507 from 169) ================================================================================ 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.