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 : Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_004 Supported species : Pb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 958.3639238151908 Forces: 1 -2.57128495e+01 -5.92802231e+01 -5.10036269e+01 2 -1.54828498e+01 1.23957415e+01 -5.77300323e+01 3 2.14404799e+01 -5.72037046e+01 -1.96585797e+01 4 -4.68613386e+01 3.54760995e+01 2.87043779e+01 5 9.91563301e+00 -6.78593976e+01 -3.18709685e+01 6 4.15180697e+01 6.89556429e+00 -4.79524063e+01 7 4.07616999e+01 -9.20569137e+01 -5.79213383e+01 8 -3.54797188e+01 -3.72275406e+01 1.36200953e+01 9 -5.68959531e+01 2.81999172e-01 -7.03758539e+01 10 -2.06127583e+01 8.68920749e+01 -7.56987904e+01 11 -2.62595367e+01 -4.68954517e+01 3.78667353e+01 12 -4.81595381e+01 6.33142328e+01 -1.76836235e+01 13 -1.75980100e-01 -2.51222005e+01 -1.42488503e+02 14 4.17180374e+01 4.63375288e+01 -3.68616915e+01 15 1.25143268e+02 -1.91473027e+01 1.91871766e+01 16 9.96381007e+00 1.10765481e+02 3.63530098e+01 17 -7.03688727e+01 -3.57950531e+01 5.33636917e+00 18 1.94588569e+01 4.19534842e+01 6.72415645e+00 19 5.61110925e+00 -5.49925046e+01 3.73645596e+01 20 -3.64350666e+01 1.85441525e+01 3.48042734e+01 21 -3.41778870e+01 -5.65890675e+01 1.46146149e+01 22 7.59277350e+01 6.03114063e+01 4.83908071e+01 23 3.81090255e+01 -2.11788332e+01 4.01203963e+01 24 -5.02274202e+00 2.45958822e+01 4.17880793e+01 25 -5.10307449e+01 -4.49481860e+01 1.38788227e+01 26 -1.45420180e+01 8.23787785e+01 -2.47738196e+01 27 2.51953023e+01 -9.01970426e+01 6.04041442e+01 28 -8.61140959e+01 7.22062651e+01 3.38573073e+01 29 -2.35404818e+01 -4.82731621e+01 2.54762807e+01 30 5.00449697e+01 6.27062442e+01 1.33672890e+01 31 6.12864478e+01 -2.66792049e+01 5.48688430e+01 32 3.07779870e+01 5.83908532e+01 6.72918955e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 958.3639238151908 Forces: 1 -2.57128495e+01 -5.92802231e+01 -5.10036269e+01 2 -1.54828498e+01 1.23957415e+01 -5.77300323e+01 3 2.14404799e+01 -5.72037046e+01 -1.96585797e+01 4 -4.68613386e+01 3.54760995e+01 2.87043779e+01 5 9.91563301e+00 -6.78593976e+01 -3.18709685e+01 6 4.15180697e+01 6.89556429e+00 -4.79524063e+01 7 4.07616999e+01 -9.20569137e+01 -5.79213383e+01 8 -3.54797188e+01 -3.72275406e+01 1.36200953e+01 9 -5.68959531e+01 2.81999172e-01 -7.03758539e+01 10 -2.06127583e+01 8.68920749e+01 -7.56987904e+01 11 -2.62595367e+01 -4.68954517e+01 3.78667353e+01 12 -4.81595381e+01 6.33142328e+01 -1.76836235e+01 13 -1.75980100e-01 -2.51222005e+01 -1.42488503e+02 14 4.17180374e+01 4.63375288e+01 -3.68616915e+01 15 1.25143268e+02 -1.91473027e+01 1.91871766e+01 16 9.96381007e+00 1.10765481e+02 3.63530098e+01 17 -7.03688727e+01 -3.57950531e+01 5.33636917e+00 18 1.94588569e+01 4.19534842e+01 6.72415645e+00 19 5.61110925e+00 -5.49925046e+01 3.73645596e+01 20 -3.64350666e+01 1.85441525e+01 3.48042734e+01 21 -3.41778870e+01 -5.65890675e+01 1.46146149e+01 22 7.59277350e+01 6.03114063e+01 4.83908071e+01 23 3.81090255e+01 -2.11788332e+01 4.01203963e+01 24 -5.02274202e+00 2.45958822e+01 4.17880793e+01 25 -5.10307449e+01 -4.49481860e+01 1.38788227e+01 26 -1.45420180e+01 8.23787785e+01 -2.47738196e+01 27 2.51953023e+01 -9.01970426e+01 6.04041442e+01 28 -8.61140959e+01 7.22062651e+01 3.38573073e+01 29 -2.35404818e+01 -4.82731621e+01 2.54762807e+01 30 5.00449697e+01 6.27062442e+01 1.33672890e+01 31 6.12864478e+01 -2.66792049e+01 5.48688430e+01 32 3.07779870e+01 5.83908532e+01 6.72918955e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1863120== Memcheck, a memory error detector ==1863120== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1863120== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1863120== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_004 ==1863120== ==1864403== Warning: invalid file descriptor 1024 in syscall close() ==1864403== Warning: invalid file descriptor 1025 in syscall close() ==1864403== Warning: invalid file descriptor 1026 in syscall close() ==1864403== Warning: invalid file descriptor 1027 in syscall close() ==1864403== Use --log-fd= to select an alternative log fd. ==1864403== Warning: invalid file descriptor 1028 in syscall close() ==1864403== Warning: invalid file descriptor 1029 in syscall close() ==1863120== ==1863120== HEAP SUMMARY: ==1863120== in use at exit: 2,257,559 bytes in 1,700 blocks ==1863120== total heap usage: 45,206 allocs, 43,506 frees, 58,553,513 bytes allocated ==1863120== ==1863120== LEAK SUMMARY: ==1863120== definitely lost: 0 bytes in 0 blocks ==1863120== indirectly lost: 0 bytes in 0 blocks ==1863120== possibly lost: 180,827 bytes in 103 blocks ==1863120== still reachable: 2,076,700 bytes in 1,596 blocks ==1863120== of which reachable via heuristic: ==1863120== stdstring : 38 bytes in 1 blocks ==1863120== suppressed: 32 bytes in 1 blocks ==1863120== Rerun with --leak-check=full to see details of leaked memory ==1863120== ==1863120== For lists of detected and suppressed errors, rerun with: -s ==1863120== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7904 from 581) ================================================================================ 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) ===