Enter a model name: === Verification check vc-memory-leak start (2019-08-08 23:33:12) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : TIDP_RajanWarnerCurtin_2016F_User01__MO_246297839798_000 Supported species : user01 random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = user01 (Configuration in file "config-F-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11588.880799364382 Forces: 1 9.87016172e+00 3.03076292e+00 9.73450212e+00 2 -1.80923046e+02 9.57930694e+02 -5.57549008e+02 3 -5.06093857e+04 -7.81613366e+04 -3.04827242e+04 4 -5.11398120e+01 -1.26354778e+02 6.03353934e+01 5 -3.63612778e+02 -1.22426679e+03 3.77002687e+02 6 5.27665749e+00 1.50599504e+00 -7.49408851e+00 7 -9.88733684e+02 -2.51910644e+04 -7.86430694e+01 8 1.23751942e+03 2.53587749e+04 1.53140636e+02 9 -1.34859396e+02 -2.16142868e+00 -7.18329983e+02 10 -3.61436621e+03 3.54510757e+03 -8.64425778e+03 11 8.42760764e+02 -1.01600850e+03 -1.82490785e+03 12 -6.38465926e+02 2.58764738e+02 -8.65917362e+00 13 -1.22016869e+03 -1.26516959e+03 -9.37593877e+02 14 1.37543543e+03 1.66347886e+03 -4.57673670e+03 15 -1.48166205e+01 -5.70681822e+02 3.17241729e+03 16 4.24497761e+03 -2.91236437e+03 8.67494163e+03 17 -1.14266749e+02 -1.90110675e+01 1.38201839e+02 18 5.07303660e+04 7.81865007e+04 3.03393736e+04 19 7.44829223e+00 -4.51336250e+01 -2.28570027e+01 20 -2.01568584e+01 3.11372588e+01 4.91758500e+00 21 -2.54302034e+01 -1.45331718e+00 7.45857993e+00 22 3.23578525e+02 -7.81176158e-01 1.76516835e+02 23 6.94208772e+00 -1.15170190e+00 8.66707857e+00 24 1.58493468e+01 1.23491739e+01 7.69653053e-01 25 -7.31700622e+02 2.19059090e+02 2.35346739e+03 26 1.26881784e+03 3.22103509e+03 -3.79812860e+03 27 6.15857928e+03 -9.10197128e+03 -2.49641206e+03 28 -8.94514719e+03 6.59712401e+03 4.68285151e+03 29 -3.83001697e+03 -5.23588909e+03 1.16523620e+03 30 3.68248676e+03 5.50067382e+03 1.13090950e+03 31 7.27767469e+00 -9.75231461e-01 -8.03746139e+00 32 1.56600466e+03 -6.80697960e+02 1.70638894e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11588.880799364382 Forces: 1 9.87016172e+00 3.03076292e+00 9.73450212e+00 2 -1.80923046e+02 9.57930694e+02 -5.57549008e+02 3 -5.06093857e+04 -7.81613366e+04 -3.04827242e+04 4 -5.11398120e+01 -1.26354778e+02 6.03353934e+01 5 -3.63612778e+02 -1.22426679e+03 3.77002687e+02 6 5.27665749e+00 1.50599504e+00 -7.49408851e+00 7 -9.88733684e+02 -2.51910644e+04 -7.86430694e+01 8 1.23751942e+03 2.53587749e+04 1.53140636e+02 9 -1.34859396e+02 -2.16142868e+00 -7.18329983e+02 10 -3.61436621e+03 3.54510757e+03 -8.64425778e+03 11 8.42760764e+02 -1.01600850e+03 -1.82490785e+03 12 -6.38465926e+02 2.58764738e+02 -8.65917362e+00 13 -1.22016869e+03 -1.26516959e+03 -9.37593877e+02 14 1.37543543e+03 1.66347886e+03 -4.57673670e+03 15 -1.48166205e+01 -5.70681822e+02 3.17241729e+03 16 4.24497761e+03 -2.91236437e+03 8.67494163e+03 17 -1.14266749e+02 -1.90110675e+01 1.38201839e+02 18 5.07303660e+04 7.81865007e+04 3.03393736e+04 19 7.44829223e+00 -4.51336250e+01 -2.28570027e+01 20 -2.01568584e+01 3.11372588e+01 4.91758500e+00 21 -2.54302034e+01 -1.45331718e+00 7.45857993e+00 22 3.23578525e+02 -7.81176158e-01 1.76516835e+02 23 6.94208772e+00 -1.15170190e+00 8.66707857e+00 24 1.58493468e+01 1.23491739e+01 7.69653053e-01 25 -7.31700622e+02 2.19059090e+02 2.35346739e+03 26 1.26881784e+03 3.22103509e+03 -3.79812860e+03 27 6.15857928e+03 -9.10197128e+03 -2.49641206e+03 28 -8.94514719e+03 6.59712401e+03 4.68285151e+03 29 -3.83001697e+03 -5.23588909e+03 1.16523620e+03 30 3.68248676e+03 5.50067382e+03 1.13090950e+03 31 7.27767469e+00 -9.75231461e-01 -8.03746139e+00 32 1.56600466e+03 -6.80697960e+02 1.70638894e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==7049== Memcheck, a memory error detector ==7049== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==7049== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==7049== Command: python runner2.py TIDP_RajanWarnerCurtin_2016F_User01__MO_246297839798_000 ==7049== ==7181== Warning: invalid file descriptor 1048564 in syscall close() ==7181== Warning: invalid file descriptor 1048565 in syscall close() ==7181== Warning: invalid file descriptor 1048566 in syscall close() ==7181== Warning: invalid file descriptor 1048567 in syscall close() ==7181== Use --log-fd= to select an alternative log fd. ==7181== Warning: invalid file descriptor 1048568 in syscall close() ==7181== Warning: invalid file descriptor 1048569 in syscall close() ==7182== Warning: invalid file descriptor 1048564 in syscall close() ==7182== Warning: invalid file descriptor 1048565 in syscall close() ==7182== Warning: invalid file descriptor 1048566 in syscall close() ==7182== Warning: invalid file descriptor 1048567 in syscall close() ==7182== Use --log-fd= to select an alternative log fd. ==7182== Warning: invalid file descriptor 1048568 in syscall close() ==7182== Warning: invalid file descriptor 1048569 in syscall close() ==7184== Warning: invalid file descriptor 1048564 in syscall close() ==7184== Warning: invalid file descriptor 1048565 in syscall close() ==7184== Warning: invalid file descriptor 1048566 in syscall close() ==7184== Warning: invalid file descriptor 1048567 in syscall close() ==7184== Use --log-fd= to select an alternative log fd. ==7184== Warning: invalid file descriptor 1048568 in syscall close() ==7184== Warning: invalid file descriptor 1048569 in syscall close() ==7186== Warning: invalid file descriptor 1048564 in syscall close() ==7186== Warning: invalid file descriptor 1048565 in syscall close() ==7186== Warning: invalid file descriptor 1048566 in syscall close() ==7186== Warning: invalid file descriptor 1048567 in syscall close() ==7186== Use --log-fd= to select an alternative log fd. ==7186== Warning: invalid file descriptor 1048568 in syscall close() ==7186== Warning: invalid file descriptor 1048569 in syscall close() ==7187== Warning: invalid file descriptor 1048564 in syscall close() ==7187== Warning: invalid file descriptor 1048565 in syscall close() ==7187== Warning: invalid file descriptor 1048566 in syscall close() ==7187== Warning: invalid file descriptor 1048567 in syscall close() ==7187== Use --log-fd= to select an alternative log fd. ==7187== Warning: invalid file descriptor 1048568 in syscall close() ==7187== Warning: invalid file descriptor 1048569 in syscall close() ==7189== Warning: invalid file descriptor 1048564 in syscall close() ==7189== Warning: invalid file descriptor 1048565 in syscall close() ==7189== Warning: invalid file descriptor 1048566 in syscall close() ==7189== Warning: invalid file descriptor 1048567 in syscall close() ==7189== Use --log-fd= to select an alternative log fd. ==7189== Warning: invalid file descriptor 1048568 in syscall close() ==7189== Warning: invalid file descriptor 1048569 in syscall close() ==7049== ==7049== HEAP SUMMARY: ==7049== in use at exit: 1,718,292 bytes in 1,321 blocks ==7049== total heap usage: 31,379 allocs, 30,058 frees, 38,087,227 bytes allocated ==7049== ==7049== LEAK SUMMARY: ==7049== definitely lost: 0 bytes in 0 blocks ==7049== indirectly lost: 0 bytes in 0 blocks ==7049== possibly lost: 178,943 bytes in 97 blocks ==7049== still reachable: 1,539,349 bytes in 1,224 blocks ==7049== suppressed: 0 bytes in 0 blocks ==7049== Rerun with --leak-check=full to see details of leaked memory ==7049== ==7049== For counts of detected and suppressed errors, rerun with: -v ==7049== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16344 from 601) ================================================================================ 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. === Verification check vc-memory-leak end (2019-08-08 23:33:34) ===