Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:18) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : TIDP_RajanWarnerCurtin_2016D_User01__MO_791486224463_001 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 = 2006.136666964673 Forces: 1 -2.74281134e+02 -1.14495022e+03 -1.39750036e+03 2 -2.83656806e+03 8.03434613e+02 -3.55331849e+02 3 1.23793985e+02 -1.65347539e+02 7.28269031e+01 4 1.62419837e+02 1.30407818e+03 1.32470630e+03 5 2.83878121e+03 -7.95012641e+02 3.57556621e+02 6 -6.15391436e+00 -5.92502690e-01 5.95056692e+00 7 1.57819226e+02 8.74711206e+02 -2.87077118e+03 8 -4.44188449e+02 -1.49196267e+03 8.62134522e+01 9 -1.51529679e+03 -6.83618425e+02 -3.68792686e+02 10 1.46817958e+03 7.52256297e+02 2.75260722e+02 11 3.66399499e+01 -6.72344513e+01 7.61294913e+01 12 4.70633297e+00 -3.89133349e+00 3.40987629e+00 13 -1.83667194e+03 -1.03511501e+03 -8.51024498e+02 14 1.16359488e+03 1.15875788e+03 -4.25356091e+02 15 1.29126810e+03 1.22581015e+03 9.45709959e+02 16 -1.71593834e+02 1.10139297e+02 2.29727375e+02 17 -5.26725982e+02 -3.39776792e+02 1.61172676e+02 18 5.23591766e+02 3.48023495e+02 -1.60003606e+02 19 3.28512352e+03 -1.87543488e+03 7.90705784e+02 20 -3.28419172e+03 1.87931515e+03 -7.89650743e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.33030048e+02 3.36352025e+02 3.55498198e+02 23 2.29701234e+01 1.49377945e+01 8.75038746e+01 24 1.58071274e-01 -4.68728060e+00 -1.01794717e+00 25 1.61380437e+00 1.58415249e+00 -6.96343726e+00 26 -2.71232230e+02 1.87174663e+02 -1.28758361e+02 27 2.21088656e+03 -1.79345789e+03 -3.68092257e+02 28 -2.23425171e+03 1.76340617e+03 3.95276157e+02 29 -5.75620047e+02 -3.06924165e+03 -7.17995140e+03 30 4.62450992e+02 6.75299782e+02 -7.95532289e+02 31 4.28623194e+02 -5.21848614e+02 6.77068583e+02 32 -1.56215854e+01 2.77739242e+03 7.43288153e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2006.136666964673 Forces: 1 -2.74281134e+02 -1.14495022e+03 -1.39750036e+03 2 -2.83656806e+03 8.03434613e+02 -3.55331849e+02 3 1.23793985e+02 -1.65347539e+02 7.28269031e+01 4 1.62419837e+02 1.30407818e+03 1.32470630e+03 5 2.83878121e+03 -7.95012641e+02 3.57556621e+02 6 -6.15391436e+00 -5.92502690e-01 5.95056692e+00 7 1.57819226e+02 8.74711206e+02 -2.87077118e+03 8 -4.44188449e+02 -1.49196267e+03 8.62134522e+01 9 -1.51529679e+03 -6.83618425e+02 -3.68792686e+02 10 1.46817958e+03 7.52256297e+02 2.75260722e+02 11 3.66399499e+01 -6.72344513e+01 7.61294913e+01 12 4.70633297e+00 -3.89133349e+00 3.40987629e+00 13 -1.83667194e+03 -1.03511501e+03 -8.51024498e+02 14 1.16359488e+03 1.15875788e+03 -4.25356091e+02 15 1.29126810e+03 1.22581015e+03 9.45709959e+02 16 -1.71593834e+02 1.10139297e+02 2.29727375e+02 17 -5.26725982e+02 -3.39776792e+02 1.61172676e+02 18 5.23591766e+02 3.48023495e+02 -1.60003606e+02 19 3.28512352e+03 -1.87543488e+03 7.90705784e+02 20 -3.28419172e+03 1.87931515e+03 -7.89650743e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.33030048e+02 3.36352025e+02 3.55498198e+02 23 2.29701234e+01 1.49377945e+01 8.75038746e+01 24 1.58071274e-01 -4.68728060e+00 -1.01794717e+00 25 1.61380437e+00 1.58415249e+00 -6.96343726e+00 26 -2.71232230e+02 1.87174663e+02 -1.28758361e+02 27 2.21088656e+03 -1.79345789e+03 -3.68092257e+02 28 -2.23425171e+03 1.76340617e+03 3.95276157e+02 29 -5.75620047e+02 -3.06924165e+03 -7.17995140e+03 30 4.62450992e+02 6.75299782e+02 -7.95532289e+02 31 4.28623194e+02 -5.21848614e+02 6.77068583e+02 32 -1.56215854e+01 2.77739242e+03 7.43288153e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1819518== Memcheck, a memory error detector ==1819518== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1819518== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1819518== Command: python runner2.py TIDP_RajanWarnerCurtin_2016D_User01__MO_791486224463_001 ==1819518== ==1820800== Warning: invalid file descriptor 1024 in syscall close() ==1820800== Warning: invalid file descriptor 1025 in syscall close() ==1820800== Warning: invalid file descriptor 1026 in syscall close() ==1820800== Warning: invalid file descriptor 1027 in syscall close() ==1820800== Use --log-fd= to select an alternative log fd. ==1820800== Warning: invalid file descriptor 1028 in syscall close() ==1820800== Warning: invalid file descriptor 1029 in syscall close() ==1819518== ==1819518== HEAP SUMMARY: ==1819518== in use at exit: 2,257,591 bytes in 1,700 blocks ==1819518== total heap usage: 47,179 allocs, 45,479 frees, 58,125,070 bytes allocated ==1819518== ==1819518== LEAK SUMMARY: ==1819518== definitely lost: 0 bytes in 0 blocks ==1819518== indirectly lost: 0 bytes in 0 blocks ==1819518== possibly lost: 180,827 bytes in 103 blocks ==1819518== still reachable: 2,076,732 bytes in 1,596 blocks ==1819518== of which reachable via heuristic: ==1819518== stdstring : 38 bytes in 1 blocks ==1819518== suppressed: 32 bytes in 1 blocks ==1819518== Rerun with --leak-check=full to see details of leaked memory ==1819518== ==1819518== For lists of detected and suppressed errors, rerun with: -s ==1819518== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7803 from 558) ================================================================================ 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 (2022-11-30 10:16:47) ===