!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_NicholAckland_2016v2_Rb__MO_874930365376_000 Supported species : Rb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Rb (Configuration in file "config-F-Rb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 432.972790667 Forces: 1 -9.11043361e+00 -3.88644935e+01 -2.95627532e+01 2 -1.00663594e+01 1.26395018e+01 -2.00496393e+01 3 1.27230983e+00 -2.48216617e+01 -6.31797612e+00 4 -1.82853827e+01 2.65417131e+01 2.31559646e+01 5 8.33628205e+00 -3.05135996e+01 -1.10533701e+01 6 1.42698287e+01 2.73541086e+00 -1.82806995e+01 7 1.64321992e+01 -6.80576987e+01 -5.97748642e+01 8 -5.91391367e+01 -5.09697875e+01 -2.30668581e+00 9 -1.52233055e+01 -2.50232425e+01 -4.77532642e+01 10 -6.95134810e+00 3.76682162e+01 -4.34920933e+01 11 -1.42616937e+01 -2.38522369e+01 9.11347595e+00 12 -2.93932601e+01 3.76138289e+01 2.51952832e+01 13 -1.17888587e+01 -1.70710252e+01 -8.19988372e+01 14 1.68039452e+01 1.68199364e+01 -9.86394178e+00 15 9.92786143e+01 2.94254501e+01 1.02827898e+01 16 2.01188865e+01 5.84594125e+01 2.80836014e+01 17 -4.33021402e+01 -3.28479040e+01 -2.94391708e+01 18 9.51030370e+00 2.05636949e+01 1.73198359e+00 19 2.30780327e+01 -2.69380104e+01 2.59160399e+01 20 -1.50874706e+01 2.73916921e+01 3.20182566e+01 21 -2.29137242e+01 -2.62668553e+01 1.32098879e+01 22 4.88301297e+01 4.56741466e+01 5.46285762e+01 23 1.51568705e+01 -8.40563702e+00 1.56535290e+01 24 2.92120912e-01 1.07438912e+01 1.64547887e+01 25 -3.06119385e+01 -6.58745716e+00 -1.05062701e+00 26 -1.35310338e+01 4.23954393e+01 -1.64865396e+01 27 3.29765036e+01 -7.08382777e+01 2.86698797e+01 28 -6.43822397e+01 5.69892783e+01 1.40473949e+01 29 -1.28196160e+01 -1.37292136e+01 1.90873471e+01 30 1.85672480e+01 2.34112189e+01 -1.32529725e+00 31 3.32570288e+01 -1.53716765e+01 2.76818345e+01 32 1.86876379e+01 3.10859460e+01 3.38251264e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Rb (Configuration in file "config-T-Rb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 811.510889803 Forces: 1 4.21710864e+01 -4.83610988e+01 7.36637334e-01 2 -4.60731149e+01 2.17926754e+01 3.64170155e+01 3 -3.03289244e-01 3.93405992e+00 -1.43442993e+00 4 3.25023951e+01 3.49687990e+01 3.68268557e+01 5 1.67216168e+01 -9.43564648e+00 4.94670901e+00 6 -5.79791123e+01 4.92683567e+01 5.85352100e+00 7 -2.04499320e-01 -5.89427516e+01 -5.53208430e+01 8 -6.17960652e+01 -4.95470324e+01 -5.27052212e-01 9 -3.36441627e+01 -5.47538256e+01 2.41410802e+01 10 -1.81454691e+01 1.68507850e+01 -2.12145347e+01 11 -1.23863198e+01 -2.55631982e+01 1.14067110e+01 12 2.46241955e+01 1.12980942e+01 5.98287313e+01 13 -1.22998348e+01 -2.35252877e+01 -6.50510653e+01 14 -4.54895344e+01 6.29326640e+00 -2.93972904e+01 15 8.17493079e+01 3.32123027e+01 1.39815177e+01 16 2.21318778e+01 3.84313282e+01 3.17898213e+01 17 1.51947725e+01 -3.93752191e+01 -5.10554536e+01 18 1.39246504e+01 2.27900135e+01 3.81366130e-01 19 2.55757803e+01 4.68080145e+00 2.09194076e+01 20 3.22585886e+01 6.38503475e+01 -1.25139460e+00 21 -2.54747118e+01 -5.55879380e+00 1.28990135e+01 22 1.20232406e+01 6.75535217e+01 4.65913463e+01 23 -5.33848518e+01 -4.93315522e+01 -4.75033853e+00 24 3.44662109e+01 1.75399984e+01 -4.94761661e+01 25 -1.21214527e+01 -1.36469310e+01 -1.91753139e+00 26 -9.64928389e+00 1.12860920e+01 -2.40948455e+01 27 6.28852755e+01 -7.43544504e+01 -2.63763043e+01 28 -6.28715305e+01 5.58999064e+01 -1.57755043e+01 29 -1.44895142e+01 -1.57264724e+01 1.76322242e+01 30 1.55743803e+00 6.19304937e+00 -2.69807358e+00 31 2.31730816e+01 -1.91035032e+01 1.75135014e+01 32 2.53532287e+01 2.13823652e+01 8.47536826e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==5123== Memcheck, a memory error detector ==5123== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==5123== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==5123== Command: python runner2.py EAM_Dynamo_NicholAckland_2016v2_Rb__MO_874930365376_000 ==5123== ==5123== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==5123== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==5123== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==5123== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==5123== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==5123== by 0x4010732: call_init (dl-init.c:72) ==5123== by 0x4010732: _dl_init (dl-init.c:119) ==5123== by 0x40151FE: dl_open_worker (dl-open.c:522) ==5123== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==5123== by 0x40147C9: _dl_open (dl-open.c:605) ==5123== by 0x544CF95: dlopen_doit (dlopen.c:66) ==5123== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==5123== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==5123== by 0x544D734: _dlerror_run (dlerror.c:162) ==5123== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==5123== ==5123== ==5123== HEAP SUMMARY: ==5123== in use at exit: 10,073,021 bytes in 3,960 blocks ==5123== total heap usage: 117,242 allocs, 113,282 frees, 64,231,465 bytes allocated ==5123== ==5123== LEAK SUMMARY: ==5123== definitely lost: 0 bytes in 0 blocks ==5123== indirectly lost: 0 bytes in 0 blocks ==5123== possibly lost: 182,191 bytes in 111 blocks ==5123== still reachable: 9,890,830 bytes in 3,849 blocks ==5123== suppressed: 0 bytes in 0 blocks ==5123== Rerun with --leak-check=full to see details of leaked memory ==5123== ==5123== For counts of detected and suppressed errors, rerun with: -v ==5123== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 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.