Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:21:55) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SNAP_LiHuChen_2018_Cu__MO_529419924683_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -20.124698066623417 Forces: 1 -2.19100022e+00 -5.62421643e+00 -6.59628610e+00 2 -3.72917604e+00 4.36050976e+00 -4.29824794e+00 3 3.27439094e+00 -8.91093257e+00 -4.81142555e+00 4 -5.42068610e+00 4.29083924e+00 2.83911868e+00 5 8.72594828e-01 -8.40617923e+00 -2.67753469e+00 6 4.26254762e+00 2.35266169e+00 -4.27254516e+00 7 6.30824842e+00 -1.17023339e+01 -1.01131065e+01 8 -6.11661800e+00 -4.78996316e+00 -2.06947409e+00 9 -9.10735173e+00 -1.09299309e+01 -1.27515967e+01 10 6.52354015e+00 1.55560253e+01 -1.44141709e+01 11 -5.66178668e+00 -1.54658226e+01 1.03467739e+00 12 -1.29038957e+01 1.13524044e+01 6.24442925e+00 13 -2.93441024e-01 -4.79390509e+00 -2.01467689e+01 14 4.44424281e+00 6.72543722e+00 -4.24858138e+00 15 1.56017958e+01 -3.34363665e+00 7.79656951e-01 16 6.76276508e+00 1.90609818e+01 4.82576453e+00 17 -1.11800645e+01 -5.38078128e+00 -4.25417377e+00 18 2.38716231e+00 5.79161920e+00 4.73662310e+00 19 4.62676534e+00 -9.68965019e+00 5.78763978e+00 20 -4.22337127e+00 7.44553739e+00 5.36272993e+00 21 -8.80585821e+00 -8.94876501e+00 5.90375879e+00 22 1.36004949e+01 1.04823525e+01 4.85798458e+00 23 2.16886729e+00 -8.61433341e-01 7.28940174e+00 24 2.35467794e+00 4.70943783e+00 3.16824797e+00 25 -8.08844974e+00 -4.46956002e+00 4.06754477e+00 26 -3.89907213e+00 1.28269494e+01 -4.31088440e+00 27 1.66929601e+00 -1.14396992e+01 8.28461161e+00 28 -9.12897981e+00 7.76415113e+00 3.79652532e+00 29 -1.19121651e+00 -7.18365765e+00 6.46479650e+00 30 5.51868103e+00 9.65143631e+00 1.70688806e-01 31 9.07819284e+00 -8.10244556e+00 7.64977656e+00 32 2.48670440e+00 7.67256961e+00 1.17008199e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -20.124698066623417 Forces: 1 -2.19100022e+00 -5.62421643e+00 -6.59628610e+00 2 -3.72917604e+00 4.36050976e+00 -4.29824794e+00 3 3.27439094e+00 -8.91093257e+00 -4.81142555e+00 4 -5.42068610e+00 4.29083924e+00 2.83911868e+00 5 8.72594828e-01 -8.40617923e+00 -2.67753469e+00 6 4.26254762e+00 2.35266169e+00 -4.27254516e+00 7 6.30824842e+00 -1.17023339e+01 -1.01131065e+01 8 -6.11661800e+00 -4.78996316e+00 -2.06947409e+00 9 -9.10735173e+00 -1.09299309e+01 -1.27515967e+01 10 6.52354015e+00 1.55560253e+01 -1.44141709e+01 11 -5.66178668e+00 -1.54658226e+01 1.03467739e+00 12 -1.29038957e+01 1.13524044e+01 6.24442925e+00 13 -2.93441024e-01 -4.79390509e+00 -2.01467689e+01 14 4.44424281e+00 6.72543722e+00 -4.24858138e+00 15 1.56017958e+01 -3.34363665e+00 7.79656951e-01 16 6.76276508e+00 1.90609818e+01 4.82576453e+00 17 -1.11800645e+01 -5.38078128e+00 -4.25417377e+00 18 2.38716231e+00 5.79161920e+00 4.73662310e+00 19 4.62676534e+00 -9.68965019e+00 5.78763978e+00 20 -4.22337127e+00 7.44553739e+00 5.36272993e+00 21 -8.80585821e+00 -8.94876501e+00 5.90375879e+00 22 1.36004949e+01 1.04823525e+01 4.85798458e+00 23 2.16886729e+00 -8.61433341e-01 7.28940174e+00 24 2.35467794e+00 4.70943783e+00 3.16824797e+00 25 -8.08844974e+00 -4.46956002e+00 4.06754477e+00 26 -3.89907213e+00 1.28269494e+01 -4.31088440e+00 27 1.66929601e+00 -1.14396992e+01 8.28461161e+00 28 -9.12897981e+00 7.76415113e+00 3.79652532e+00 29 -1.19121651e+00 -7.18365765e+00 6.46479650e+00 30 5.51868103e+00 9.65143631e+00 1.70688806e-01 31 9.07819284e+00 -8.10244556e+00 7.64977656e+00 32 2.48670440e+00 7.67256961e+00 1.17008199e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==39106== Memcheck, a memory error detector ==39106== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==39106== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==39106== Command: python runner2.py SNAP_LiHuChen_2018_Cu__MO_529419924683_000 ==39106== ==39316== Warning: invalid file descriptor 255988 in syscall close() ==39316== Warning: invalid file descriptor 255989 in syscall close() ==39316== Warning: invalid file descriptor 255990 in syscall close() ==39316== Warning: invalid file descriptor 255991 in syscall close() ==39316== Use --log-fd= to select an alternative log fd. ==39316== Warning: invalid file descriptor 255992 in syscall close() ==39316== Warning: invalid file descriptor 255993 in syscall close() ==39106== ==39106== HEAP SUMMARY: ==39106== in use at exit: 2,257,559 bytes in 1,700 blocks ==39106== total heap usage: 46,716 allocs, 45,016 frees, 51,316,315 bytes allocated ==39106== ==39106== LEAK SUMMARY: ==39106== definitely lost: 0 bytes in 0 blocks ==39106== indirectly lost: 0 bytes in 0 blocks ==39106== possibly lost: 180,827 bytes in 103 blocks ==39106== still reachable: 2,076,700 bytes in 1,596 blocks ==39106== of which reachable via heuristic: ==39106== stdstring : 38 bytes in 1 blocks ==39106== suppressed: 32 bytes in 1 blocks ==39106== Rerun with --leak-check=full to see details of leaked memory ==39106== ==39106== For lists of detected and suppressed errors, rerun with: -s ==39106== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7886 from 555) ================================================================================ 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 (2022-11-29 19:24:33) ===