!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001_W__MO_621445647666_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 = 303.230819341 Forces: 1 -1.44410828e+01 -3.13607374e+01 -3.34991264e+01 2 -2.15118551e+01 2.55289440e+01 -2.19458959e+01 3 2.38606539e+01 -1.92277380e+01 -8.85167321e+00 4 -1.94743688e+01 2.44189592e+01 2.05378559e+01 5 1.39139423e+01 -4.89948778e+01 -8.65166487e+00 6 2.50047009e+01 1.37279944e+01 -2.46046916e+01 7 1.96064483e+01 -1.03249469e+02 -9.61691756e+01 8 -5.73692253e+01 -4.11059311e+01 1.02901491e+00 9 -4.25197542e+01 -2.51270189e+01 -6.44629597e+01 10 -1.64277319e+01 7.09458901e+01 -7.15514061e+01 11 -2.33508974e+01 -5.74631038e+01 5.00545704e+01 12 -3.42067227e+01 4.32597496e+01 1.94706070e+01 13 -2.09207503e+01 -4.38237556e+01 -1.48599299e+02 14 2.83726850e+01 3.53230768e+01 -2.59782299e+01 15 1.26520868e+02 -3.53915633e+01 2.41438474e+01 16 1.19858223e+01 1.03045124e+02 5.02246899e+01 17 -6.59220990e+01 -4.45042287e+01 -2.11161676e+01 18 5.13079883e+01 6.67979507e+01 -6.22567630e+01 19 2.34424654e+01 -7.50168843e+01 4.70530274e+01 20 -5.31518523e+01 2.61363198e+01 5.96577847e+01 21 -4.67850807e+01 -3.39454618e+01 2.17452663e+01 22 6.96281649e+01 8.20872125e+01 7.86029604e+01 23 1.63538919e+01 -7.19373588e+00 2.34406489e+01 24 1.84908388e+01 1.80179992e+01 2.38429593e+01 25 -4.00903914e+01 -2.51329559e+01 -1.46558744e+01 26 -1.83829813e+01 6.74155460e+01 -3.65714264e+01 27 5.14097969e+01 -1.13681886e+02 5.04079534e+01 28 -9.84080776e+01 8.82623242e+01 2.44793186e+01 29 -2.99308559e+01 -4.20649089e+01 2.45101657e+01 30 3.64321508e+01 5.70249792e+01 2.99165421e+01 31 5.49381335e+01 -2.62934911e+01 3.60964258e+01 32 3.16251752e+01 5.15856773e+01 5.37007157e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 599.921274186 Forces: 1 7.12707814e+01 -5.74513122e+01 1.88774010e+01 2 -1.07786884e+02 3.01240213e+01 1.09810571e+02 3 2.03216856e+01 2.68708085e+01 -4.99423077e+00 4 4.90824893e+01 4.37971028e+01 -1.18395630e+00 5 3.14358050e+01 -3.83889013e+01 2.88882393e+01 6 -7.04776024e+01 8.60877684e+01 1.47459191e+01 7 -1.94244943e+01 -9.18127812e+01 -9.85757308e+01 8 -5.65619544e+01 -4.33002342e+01 7.03925688e-01 9 -7.43557588e+01 -7.21614068e+01 4.95552410e+01 10 -3.49179452e+01 4.48128087e+01 -3.13326770e+01 11 -2.64859152e+01 -5.62176275e+01 4.84655758e+01 12 3.07501900e+01 1.42637994e+01 3.00736059e+01 13 -1.66092136e+01 -5.02961388e+01 -1.23880293e+02 14 -2.99899289e+01 1.52207565e+01 -3.85741645e+01 15 1.02917676e+02 -3.36137599e+01 2.26459187e+01 16 1.71075391e+01 8.34874204e+01 4.92072516e+01 17 2.18840025e+01 -7.47846721e+01 -2.04750683e+01 18 5.18507718e+01 6.50044125e+01 -5.98392237e+01 19 1.85585204e+01 -2.56804745e+01 3.95833624e+01 20 1.11341657e+01 7.69193465e+01 7.80888553e+00 21 -4.43526602e+01 -6.10940306e+00 2.54968346e+01 22 -1.68782811e+01 1.24896980e+02 9.34522051e+01 23 -5.25738424e+01 -6.75568188e+01 -2.75395409e+01 24 1.02450908e+02 4.75133402e+01 -1.25062374e+02 25 -1.54170716e+01 -3.34723542e+01 -1.25011283e+01 26 -1.28367152e+01 1.93331355e+01 -4.38328925e+01 27 9.46637114e+01 -1.13864576e+02 -3.47435244e+01 28 -1.00753844e+02 9.58687513e+01 -2.60830320e+01 29 -2.81227907e+01 -4.03689153e+01 2.58434866e+01 30 -2.29277768e+00 2.66714191e+01 4.60898592e+01 31 4.14720663e+01 -2.97488166e+01 2.55906287e+01 32 4.49373676e+01 3.39563209e+01 1.17789251e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==10935== Memcheck, a memory error detector ==10935== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==10935== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==10935== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001_W__MO_621445647666_000 ==10935== ==10935== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==10935== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==10935== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10935== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10935== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10935== by 0x4010732: call_init (dl-init.c:72) ==10935== by 0x4010732: _dl_init (dl-init.c:119) ==10935== by 0x40151FE: dl_open_worker (dl-open.c:522) ==10935== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10935== by 0x40147C9: _dl_open (dl-open.c:605) ==10935== by 0x544CF95: dlopen_doit (dlopen.c:66) ==10935== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10935== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==10935== by 0x544D734: _dlerror_run (dlerror.c:162) ==10935== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==10935== ==10935== ==10935== HEAP SUMMARY: ==10935== in use at exit: 10,127,655 bytes in 3,961 blocks ==10935== total heap usage: 118,831 allocs, 114,870 frees, 64,464,145 bytes allocated ==10935== ==10935== LEAK SUMMARY: ==10935== definitely lost: 0 bytes in 0 blocks ==10935== indirectly lost: 0 bytes in 0 blocks ==10935== possibly lost: 182,191 bytes in 111 blocks ==10935== still reachable: 9,945,464 bytes in 3,850 blocks ==10935== suppressed: 0 bytes in 0 blocks ==10935== Rerun with --leak-check=full to see details of leaked memory ==10935== ==10935== For counts of detected and suppressed errors, rerun with: -v ==10935== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2500 from 171) ================================================================================ 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.