!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_002 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 147.770615405 Forces: 1 -6.52742353e+00 -1.34582683e+01 -1.45099373e+01 2 -1.59302951e+01 2.50089788e+01 -1.64928888e+01 3 5.77977910e+00 -7.46695006e+00 3.53776434e+00 4 -6.55876343e+00 1.14043671e+01 1.06550019e+01 5 2.02988375e+01 -3.28555245e+01 -3.22135339e+00 6 6.94903850e+00 3.20513158e+00 -1.15687247e+01 7 7.26383827e+00 -4.38752122e+01 -4.02285324e+01 8 -2.20990388e+01 -1.95120067e+01 8.08848232e+00 9 -1.99117009e+01 -1.15128183e+01 -2.89362885e+01 10 -6.71468379e+00 3.29005614e+01 -3.17675975e+01 11 -9.55090484e+00 -2.66192847e+01 2.76090588e+01 12 -1.37677086e+01 1.78976819e+01 9.14216959e+00 13 -8.06172402e+00 -1.51846234e+01 -6.73873280e+01 14 1.18419811e+01 1.55140079e+01 -1.09254411e+01 15 5.48997892e+01 -1.68588219e+01 1.28432191e+01 16 4.51422613e+00 4.39279392e+01 2.27518345e+01 17 -2.17015262e+01 -1.09454599e+01 -8.89070982e+00 18 5.14310937e+00 2.57998326e+01 -2.85615573e+01 19 6.65782468e+00 -3.30094079e+01 2.00020626e+01 20 -1.42929546e+01 1.26868149e+01 1.55473563e+01 21 -1.98250321e+01 -1.43904660e+01 8.27392848e+00 22 2.67359050e+01 3.74274569e+01 3.28999522e+01 23 6.68851562e+00 -2.49502168e+00 9.59533563e+00 24 1.32130882e+01 9.11565697e+00 1.62226113e+01 25 -1.53567624e+01 -1.45308383e+01 -7.10940535e+00 26 -8.24738332e+00 2.88816472e+01 -1.70022256e+01 27 2.27214088e+01 -5.07071159e+01 2.12719448e+01 28 -4.22444196e+01 3.80961885e+01 1.03251345e+01 29 -1.36110122e+01 -2.25121732e+01 7.25927848e+00 30 1.46634346e+01 2.43610296e+01 1.30047385e+01 31 2.32456755e+01 -1.20624638e+01 1.49984043e+01 32 1.37848818e+01 2.17691621e+01 2.25737122e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 178.569774357 Forces: 1 3.10975097e+01 -2.64086447e+01 7.86191227e+00 2 -5.43553223e+01 2.64607905e+01 4.05568076e+01 3 3.94265602e+00 1.20090057e+01 5.51850675e+00 4 2.31179006e+01 1.98278578e+01 -9.86859028e-02 5 3.48901670e+01 -9.94793067e+00 5.03895957e+00 6 -3.65046591e+01 3.65920056e+01 8.22665803e+00 7 -8.18932681e+00 -4.01938695e+01 -4.22427484e+01 8 -2.13631068e+01 -2.05363645e+01 6.97456331e+00 9 -3.57224312e+01 -3.24153399e+01 2.03215783e+01 10 -2.17883583e+01 8.82983967e+00 -1.71063732e+01 11 -1.08855346e+01 -2.55039342e+01 2.65853041e+01 12 1.41772172e+01 5.46342125e+00 1.36021562e+01 13 -5.85891731e+00 -1.76751819e+01 -5.79375276e+01 14 -1.61155834e+01 9.33487365e+00 -1.81225337e+01 15 4.61531665e+01 -1.59570149e+01 1.21076716e+01 16 8.19325143e+00 3.40725751e+01 2.33171617e+01 17 1.64081505e+01 -2.54593713e+01 -8.49061048e+00 18 4.04524776e+00 2.42877954e+01 -2.77870878e+01 19 5.54510936e+00 -1.19302007e+01 1.72262513e+01 20 1.31173854e+01 3.61381118e+01 -6.22119758e+00 21 -1.87592288e+01 -3.61700242e+00 1.05789464e+01 22 -8.81803267e+00 5.58635541e+01 4.03228481e+01 23 -2.54658020e+01 -3.18725032e+01 -1.32654376e+01 24 5.33846275e+01 1.50160548e+01 -4.29727906e+01 25 -5.87769586e+00 -1.76071594e+01 -5.41798100e+00 26 -6.72842198e+00 8.96536490e+00 -2.03185546e+01 27 4.17336299e+01 -5.10557953e+01 -1.51787079e+01 28 -4.44095159e+01 4.18637218e+01 -1.11180345e+01 29 -1.23596417e+01 -2.11357261e+01 8.42210562e+00 30 -2.15755693e+00 1.22716711e+01 2.10356077e+01 31 1.89880003e+01 -1.33403895e+01 1.19801853e+01 32 2.05651164e+01 1.76597849e+01 6.60104723e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18837== Memcheck, a memory error detector ==18837== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18837== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==18837== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_002 ==18837== ==18837== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==18837== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==18837== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18837== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18837== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18837== by 0x4010732: call_init (dl-init.c:72) ==18837== by 0x4010732: _dl_init (dl-init.c:119) ==18837== by 0x40151FE: dl_open_worker (dl-open.c:522) ==18837== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18837== by 0x40147C9: _dl_open (dl-open.c:605) ==18837== by 0x544CF95: dlopen_doit (dlopen.c:66) ==18837== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18837== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==18837== by 0x544D734: _dlerror_run (dlerror.c:162) ==18837== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==18837== ==18837== ==18837== HEAP SUMMARY: ==18837== in use at exit: 4,496,702 bytes in 3,908 blocks ==18837== total heap usage: 115,343 allocs, 111,435 frees, 58,023,817 bytes allocated ==18837== ==18837== LEAK SUMMARY: ==18837== definitely lost: 0 bytes in 0 blocks ==18837== indirectly lost: 0 bytes in 0 blocks ==18837== possibly lost: 182,191 bytes in 111 blocks ==18837== still reachable: 4,314,511 bytes in 3,797 blocks ==18837== suppressed: 0 bytes in 0 blocks ==18837== Rerun with --leak-check=full to see details of leaked memory ==18837== ==18837== For counts of detected and suppressed errors, rerun with: -v ==18837== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 from 173) ================================================================================ 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.