!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ackland_1987_Au__MO_754413982908_000 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 219.898354287 Forces: 1 -1.07573253e+01 -1.77480638e+01 -1.71601652e+01 2 -5.59639623e+00 6.57552384e+00 -2.07934994e+01 3 8.02326047e+00 -2.16385151e+01 -5.19758619e+00 4 -1.82572085e+01 9.26499785e+00 6.19401699e+00 5 1.24294404e+00 -2.56816488e+01 -1.35802043e+01 6 1.67784519e+01 2.35358603e+00 -1.95551195e+01 7 1.75484565e+01 -2.86843739e+01 -1.22060495e+01 8 -1.15308614e+01 -1.18268873e+01 3.12296957e+00 9 -1.32519699e+01 -1.38212800e+01 -2.71374578e+01 10 1.06571375e+01 2.67859208e+01 -2.23222017e+01 11 -4.61907217e+00 -1.36231164e+01 -4.55517832e+00 12 -2.72056246e+01 2.26131898e+01 1.10755593e+01 13 -6.71457612e+00 -5.19308078e+00 -4.53946790e+01 14 1.55935697e+01 1.78539127e+01 -1.47581808e+01 15 4.37639920e+01 -6.98670898e+00 -1.30612965e+00 16 -1.86393669e+00 4.26006004e+01 2.82902585e+00 17 -2.60456668e+01 -1.30042290e+01 1.97233787e+00 18 5.68774780e+00 1.00396911e+01 4.21691423e+00 19 1.57216177e+00 -2.11185059e+01 1.61140330e+01 20 -1.37671427e+01 7.26794476e+00 1.31120242e+01 21 -1.03385485e+01 -2.46744767e+01 2.48352914e+00 22 2.92402724e+01 1.44876553e+01 1.06067582e+01 23 1.73399160e+01 -9.84475067e+00 1.54245830e+01 24 -6.05238780e+00 1.11004014e+01 1.82468133e+01 25 -3.19631350e+01 -5.71081716e+00 5.84882748e+00 26 -3.44161765e+00 3.38297179e+01 -6.27392941e+00 27 3.80077163e+00 -2.62293162e+01 2.27111654e+01 28 -2.51651308e+01 1.96953005e+01 1.25543908e+01 29 -8.99069212e+00 -1.62409737e+01 1.14456576e+01 30 2.30191851e+01 2.66439037e+01 1.26892555e+00 31 2.29718907e+01 -9.80181977e+00 2.58045203e+01 32 8.32153481e+00 2.07162181e+01 2.52083289e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 509.689871167 Forces: 1 1.63239902e+01 -1.13714469e+01 2.50676247e+00 2 -1.10624351e+01 1.20336738e+01 5.30782538e+00 3 8.19869723e+00 6.82496913e+00 -4.44729569e-01 4 1.54016096e+01 1.80310705e+01 9.67133285e+00 5 1.52921722e+00 -1.14074862e+01 1.25672087e+00 6 -1.46198191e+01 2.27382257e+01 2.26703129e+00 7 -7.43279851e+00 -1.64612140e+01 -9.61935994e+00 8 -1.42700949e+01 -1.06668818e+01 5.34776305e+00 9 -1.18451444e+01 -2.87210090e+01 4.46717854e+00 10 1.26617024e+01 1.18665093e+01 -5.29187735e-01 11 -4.06846218e+00 -1.47629024e+01 -3.79396699e+00 12 -2.74146698e+00 2.56513009e+00 2.03197576e+01 13 -6.04468800e+00 -1.06174940e+01 -2.71919548e+01 14 -1.29142751e+01 5.99515804e+00 -1.43641715e+01 15 2.37857091e+01 -8.19836503e+00 1.46202872e+00 16 -5.38240279e-01 2.10739871e+01 5.08511279e+00 17 8.47087426e+00 -1.28541365e+01 1.82748711e+00 18 7.86888351e+00 1.14786345e+01 3.30962057e+00 19 3.05113903e+00 4.08816895e+00 3.34244677e+00 20 1.43057614e+01 2.53535583e+01 -1.04961944e+01 21 -1.19320674e+01 -1.92908785e+00 2.58078551e+00 22 3.34925345e-01 2.75793934e+01 1.24096914e+01 23 -1.03997217e+01 -2.42304977e+01 -1.07736208e+01 24 -2.63647369e+00 1.74397388e+01 -1.61903237e+01 25 -1.30114034e+01 -1.10389574e+01 4.67273942e+00 26 -8.09753034e-01 6.78738296e+00 -8.62529116e+00 27 1.43780993e+01 -3.19152564e+01 -9.16376764e+00 28 -2.27902207e+01 1.39564885e+01 -1.11869124e+01 29 -9.95984843e+00 -1.75190758e+01 1.13670625e+01 30 6.45648698e+00 7.25255457e+00 3.90977704e+00 31 1.08302059e+01 -1.30383644e+01 1.46016998e+01 32 1.34796116e+01 9.66753160e+00 6.66665692e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28808== Memcheck, a memory error detector ==28808== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==28808== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==28808== Command: python runner2.py EAM_Dynamo_Ackland_1987_Au__MO_754413982908_000 ==28808== ==28808== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==28808== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==28808== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28808== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28808== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28808== by 0x4010732: call_init (dl-init.c:72) ==28808== by 0x4010732: _dl_init (dl-init.c:119) ==28808== by 0x40151FE: dl_open_worker (dl-open.c:522) ==28808== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28808== by 0x40147C9: _dl_open (dl-open.c:605) ==28808== by 0x544CF95: dlopen_doit (dlopen.c:66) ==28808== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28808== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==28808== by 0x544D734: _dlerror_run (dlerror.c:162) ==28808== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==28808== ==28808== ==28808== HEAP SUMMARY: ==28808== in use at exit: 9,960,925 bytes in 3,961 blocks ==28808== total heap usage: 113,830 allocs, 109,869 frees, 63,860,717 bytes allocated ==28808== ==28808== LEAK SUMMARY: ==28808== definitely lost: 0 bytes in 0 blocks ==28808== indirectly lost: 0 bytes in 0 blocks ==28808== possibly lost: 182,191 bytes in 111 blocks ==28808== still reachable: 9,778,734 bytes in 3,850 blocks ==28808== suppressed: 0 bytes in 0 blocks ==28808== Rerun with --leak-check=full to see details of leaked memory ==28808== ==28808== For counts of detected and suppressed errors, rerun with: -v ==28808== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 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.