Enter a model name: === Verification check vc-memory-leak start (2019-08-08 23:33:03) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016C_User01__MO_072437275969_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 = 11588.07440414341 Forces: 1 7.98897961e+00 2.71393962e+00 8.13060341e+00 2 -1.82258507e+02 9.57568474e+02 -5.54647082e+02 3 -5.06098140e+04 -7.81621297e+04 -3.04817796e+04 4 -5.07354772e+01 -1.27074943e+02 5.77276798e+01 5 -3.60070567e+02 -1.22534162e+03 3.74129366e+02 6 2.03135064e+00 1.70514966e+00 -4.05242626e+00 7 -9.89281626e+02 -2.51888005e+04 -7.95670628e+01 8 1.23786440e+03 2.53541540e+04 1.53855467e+02 9 -1.32105289e+02 -2.09526657e+00 -7.15215621e+02 10 -3.61267371e+03 3.54507713e+03 -8.64343153e+03 11 8.43424759e+02 -1.01650224e+03 -1.82260179e+03 12 -6.37061683e+02 2.58841458e+02 -8.22643116e+00 13 -1.21689784e+03 -1.26630112e+03 -9.37285769e+02 14 1.37182665e+03 1.66329808e+03 -4.57521793e+03 15 -1.45317730e+01 -5.68454517e+02 3.17252403e+03 16 4.24047298e+03 -2.91398345e+03 8.67018415e+03 17 -1.14857508e+02 -2.06115533e+01 1.36754682e+02 18 5.07300348e+04 7.81892725e+04 3.03382700e+04 19 9.20777048e+00 -4.51209372e+01 -2.16486332e+01 20 -2.02927449e+01 3.15279501e+01 6.28280878e+00 21 -2.56266604e+01 -1.38441365e+00 4.89872051e+00 22 3.23253844e+02 -8.85011043e-01 1.74234912e+02 23 6.57132327e+00 -8.99555682e-01 8.66089378e+00 24 1.50862806e+01 1.65781062e+01 2.07603346e+00 25 -7.29337409e+02 2.19801106e+02 2.35054775e+03 26 1.26706834e+03 3.22135821e+03 -3.79675857e+03 27 6.15953714e+03 -9.10022077e+03 -2.49682778e+03 28 -8.94647585e+03 6.59675012e+03 4.68429823e+03 29 -3.82946629e+03 -5.23476300e+03 1.16282547e+03 30 3.68280934e+03 5.50023070e+03 1.13221615e+03 31 7.58107058e+00 -1.09549466e+00 -6.91929485e+00 32 1.56672792e+03 -6.83212797e+02 1.70656258e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11588.07440414341 Forces: 1 7.98897961e+00 2.71393962e+00 8.13060341e+00 2 -1.82258507e+02 9.57568474e+02 -5.54647082e+02 3 -5.06098140e+04 -7.81621297e+04 -3.04817796e+04 4 -5.07354772e+01 -1.27074943e+02 5.77276798e+01 5 -3.60070567e+02 -1.22534162e+03 3.74129366e+02 6 2.03135064e+00 1.70514966e+00 -4.05242626e+00 7 -9.89281626e+02 -2.51888005e+04 -7.95670628e+01 8 1.23786440e+03 2.53541540e+04 1.53855467e+02 9 -1.32105289e+02 -2.09526657e+00 -7.15215621e+02 10 -3.61267371e+03 3.54507713e+03 -8.64343153e+03 11 8.43424759e+02 -1.01650224e+03 -1.82260179e+03 12 -6.37061683e+02 2.58841458e+02 -8.22643116e+00 13 -1.21689784e+03 -1.26630112e+03 -9.37285769e+02 14 1.37182665e+03 1.66329808e+03 -4.57521793e+03 15 -1.45317730e+01 -5.68454517e+02 3.17252403e+03 16 4.24047298e+03 -2.91398345e+03 8.67018415e+03 17 -1.14857508e+02 -2.06115533e+01 1.36754682e+02 18 5.07300348e+04 7.81892725e+04 3.03382700e+04 19 9.20777048e+00 -4.51209372e+01 -2.16486332e+01 20 -2.02927449e+01 3.15279501e+01 6.28280878e+00 21 -2.56266604e+01 -1.38441365e+00 4.89872051e+00 22 3.23253844e+02 -8.85011043e-01 1.74234912e+02 23 6.57132327e+00 -8.99555682e-01 8.66089378e+00 24 1.50862806e+01 1.65781062e+01 2.07603346e+00 25 -7.29337409e+02 2.19801106e+02 2.35054775e+03 26 1.26706834e+03 3.22135821e+03 -3.79675857e+03 27 6.15953714e+03 -9.10022077e+03 -2.49682778e+03 28 -8.94647585e+03 6.59675012e+03 4.68429823e+03 29 -3.82946629e+03 -5.23476300e+03 1.16282547e+03 30 3.68280934e+03 5.50023070e+03 1.13221615e+03 31 7.58107058e+00 -1.09549466e+00 -6.91929485e+00 32 1.56672792e+03 -6.83212797e+02 1.70656258e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4869== Memcheck, a memory error detector ==4869== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4869== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==4869== Command: python runner2.py TIDP_RajanWarnerCurtin_2016C_User01__MO_072437275969_000 ==4869== ==7061== Warning: invalid file descriptor 1048564 in syscall close() ==7061== Warning: invalid file descriptor 1048565 in syscall close() ==7061== Warning: invalid file descriptor 1048566 in syscall close() ==7061== Warning: invalid file descriptor 1048567 in syscall close() ==7061== Use --log-fd= to select an alternative log fd. ==7061== Warning: invalid file descriptor 1048568 in syscall close() ==7061== Warning: invalid file descriptor 1048569 in syscall close() ==7063== Warning: invalid file descriptor 1048564 in syscall close() ==7063== Warning: invalid file descriptor 1048565 in syscall close() ==7063== Warning: invalid file descriptor 1048566 in syscall close() ==7063== Warning: invalid file descriptor 1048567 in syscall close() ==7063== Use --log-fd= to select an alternative log fd. ==7063== Warning: invalid file descriptor 1048568 in syscall close() ==7063== Warning: invalid file descriptor 1048569 in syscall close() ==7075== Warning: invalid file descriptor 1048564 in syscall close() ==7075== Warning: invalid file descriptor 1048565 in syscall close() ==7075== Warning: invalid file descriptor 1048566 in syscall close() ==7075== Warning: invalid file descriptor 1048567 in syscall close() ==7075== Use --log-fd= to select an alternative log fd. ==7075== Warning: invalid file descriptor 1048568 in syscall close() ==7075== Warning: invalid file descriptor 1048569 in syscall close() ==7076== Warning: invalid file descriptor 1048564 in syscall close() ==7076== Warning: invalid file descriptor 1048565 in syscall close() ==7076== Warning: invalid file descriptor 1048566 in syscall close() ==7076== Warning: invalid file descriptor 1048567 in syscall close() ==7076== Use --log-fd= to select an alternative log fd. ==7076== Warning: invalid file descriptor 1048568 in syscall close() ==7076== Warning: invalid file descriptor 1048569 in syscall close() ==7077== Warning: invalid file descriptor 1048564 in syscall close() ==7077== Warning: invalid file descriptor 1048565 in syscall close() ==7077== Warning: invalid file descriptor 1048566 in syscall close() ==7077== Warning: invalid file descriptor 1048567 in syscall close() ==7077== Use --log-fd= to select an alternative log fd. ==7077== Warning: invalid file descriptor 1048568 in syscall close() ==7077== Warning: invalid file descriptor 1048569 in syscall close() ==7078== Warning: invalid file descriptor 1048564 in syscall close() ==7078== Warning: invalid file descriptor 1048565 in syscall close() ==7078== Warning: invalid file descriptor 1048566 in syscall close() ==7078== Warning: invalid file descriptor 1048567 in syscall close() ==7078== Use --log-fd= to select an alternative log fd. ==7078== Warning: invalid file descriptor 1048568 in syscall close() ==7078== Warning: invalid file descriptor 1048569 in syscall close() ==4869== ==4869== HEAP SUMMARY: ==4869== in use at exit: 1,718,292 bytes in 1,321 blocks ==4869== total heap usage: 31,373 allocs, 30,052 frees, 38,090,311 bytes allocated ==4869== ==4869== LEAK SUMMARY: ==4869== definitely lost: 0 bytes in 0 blocks ==4869== indirectly lost: 0 bytes in 0 blocks ==4869== possibly lost: 178,943 bytes in 97 blocks ==4869== still reachable: 1,539,349 bytes in 1,224 blocks ==4869== suppressed: 0 bytes in 0 blocks ==4869== Rerun with --leak-check=full to see details of leaked memory ==4869== ==4869== For counts of detected and suppressed errors, rerun with: -v ==4869== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16342 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 23:33:26) ===