Enter a model name: === Verification check vc-memory-leak start (2019-08-08 23:13:17) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -43.552124673619744 Forces: 1 -2.06073417e+00 -3.48685563e+00 -4.28629637e+00 2 -1.24641113e+00 2.20157335e+00 -3.43962284e+00 3 3.31164892e+00 -4.16442420e+00 -6.17402692e-01 4 -3.46692387e+00 2.01090099e+00 1.93510712e+00 5 -2.42955105e+00 -5.62868264e+00 -3.46916050e+00 6 3.30638418e+00 3.82998615e+00 -3.54957500e+00 7 6.71851489e+00 -1.06184063e+01 -6.63103298e+00 8 -7.97922282e+00 -5.80574977e+00 -2.67017554e+00 9 -6.58964078e+00 -7.16016510e+00 -9.30085193e+00 10 5.37310062e+00 9.79237067e+00 -8.29749498e+00 11 -3.51796553e-02 -8.74056147e+00 2.07083613e+00 12 -8.51917833e+00 9.30313147e+00 2.81515894e+00 13 4.02503424e-01 -5.15074402e+00 -1.55015527e+01 14 3.09053732e+00 3.02147467e+00 -1.51017008e+00 15 1.59229434e+01 -3.12424339e+00 -4.34147433e+00 16 1.12292811e+00 1.55386990e+01 1.54599215e+00 17 -7.48727939e+00 -4.04230007e+00 -3.10245400e+00 18 2.15980754e+00 6.52663572e+00 -1.51342575e+00 19 3.33186792e+00 -6.80467139e+00 5.32132678e+00 20 -2.76566021e+00 4.94201613e+00 3.59836016e+00 21 -6.43135219e+00 -6.54515962e+00 2.45304891e+00 22 9.51605386e+00 7.74859877e+00 7.00259647e+00 23 3.03372414e+00 -1.45979082e+00 4.07492013e+00 24 -7.94041691e-01 3.17672667e+00 3.16898706e+00 25 -6.53816904e+00 -4.30643408e+00 8.23783846e+00 26 -3.54203203e+00 1.03795754e+01 -4.57597379e+00 27 1.19343698e+00 -1.32031347e+01 5.26614436e+00 28 -8.56455645e+00 6.36517921e+00 1.70846354e+00 29 -7.18480331e+00 -6.67859993e+00 6.89978743e+00 30 5.47426283e+00 1.03055859e+01 1.42718972e+00 31 7.71284910e+00 -5.66479741e+00 7.06206959e+00 32 3.96417291e+00 7.44226642e+00 8.21883657e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -43.552124673619744 Forces: 1 -2.06073417e+00 -3.48685563e+00 -4.28629637e+00 2 -1.24641113e+00 2.20157335e+00 -3.43962284e+00 3 3.31164892e+00 -4.16442420e+00 -6.17402692e-01 4 -3.46692387e+00 2.01090099e+00 1.93510712e+00 5 -2.42955105e+00 -5.62868264e+00 -3.46916050e+00 6 3.30638418e+00 3.82998615e+00 -3.54957500e+00 7 6.71851489e+00 -1.06184063e+01 -6.63103298e+00 8 -7.97922282e+00 -5.80574977e+00 -2.67017554e+00 9 -6.58964078e+00 -7.16016510e+00 -9.30085193e+00 10 5.37310062e+00 9.79237067e+00 -8.29749498e+00 11 -3.51796553e-02 -8.74056147e+00 2.07083613e+00 12 -8.51917833e+00 9.30313147e+00 2.81515894e+00 13 4.02503424e-01 -5.15074402e+00 -1.55015527e+01 14 3.09053732e+00 3.02147467e+00 -1.51017008e+00 15 1.59229434e+01 -3.12424339e+00 -4.34147433e+00 16 1.12292811e+00 1.55386990e+01 1.54599215e+00 17 -7.48727939e+00 -4.04230007e+00 -3.10245400e+00 18 2.15980754e+00 6.52663572e+00 -1.51342575e+00 19 3.33186792e+00 -6.80467139e+00 5.32132678e+00 20 -2.76566021e+00 4.94201613e+00 3.59836016e+00 21 -6.43135219e+00 -6.54515962e+00 2.45304891e+00 22 9.51605386e+00 7.74859877e+00 7.00259647e+00 23 3.03372414e+00 -1.45979082e+00 4.07492013e+00 24 -7.94041691e-01 3.17672667e+00 3.16898706e+00 25 -6.53816904e+00 -4.30643408e+00 8.23783846e+00 26 -3.54203203e+00 1.03795754e+01 -4.57597379e+00 27 1.19343698e+00 -1.32031347e+01 5.26614436e+00 28 -8.56455645e+00 6.36517921e+00 1.70846354e+00 29 -7.18480331e+00 -6.67859993e+00 6.89978743e+00 30 5.47426283e+00 1.03055859e+01 1.42718972e+00 31 7.71284910e+00 -5.66479741e+00 7.06206959e+00 32 3.96417291e+00 7.44226642e+00 8.21883657e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3085== Memcheck, a memory error detector ==3085== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==3085== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==3085== Command: python runner2.py EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002 ==3085== ==4782== Warning: invalid file descriptor 1048564 in syscall close() ==4782== Warning: invalid file descriptor 1048565 in syscall close() ==4782== Warning: invalid file descriptor 1048566 in syscall close() ==4782== Warning: invalid file descriptor 1048567 in syscall close() ==4782== Use --log-fd= to select an alternative log fd. ==4782== Warning: invalid file descriptor 1048568 in syscall close() ==4782== Warning: invalid file descriptor 1048569 in syscall close() ==4789== Warning: invalid file descriptor 1048564 in syscall close() ==4789== Warning: invalid file descriptor 1048565 in syscall close() ==4789== Warning: invalid file descriptor 1048566 in syscall close() ==4789== Warning: invalid file descriptor 1048567 in syscall close() ==4789== Use --log-fd= to select an alternative log fd. ==4789== Warning: invalid file descriptor 1048568 in syscall close() ==4789== Warning: invalid file descriptor 1048569 in syscall close() ==4932== Warning: invalid file descriptor 1048564 in syscall close() ==4932== Warning: invalid file descriptor 1048565 in syscall close() ==4932== Warning: invalid file descriptor 1048566 in syscall close() ==4932== Warning: invalid file descriptor 1048567 in syscall close() ==4932== Use --log-fd= to select an alternative log fd. ==4932== Warning: invalid file descriptor 1048568 in syscall close() ==4932== Warning: invalid file descriptor 1048569 in syscall close() ==4933== Warning: invalid file descriptor 1048564 in syscall close() ==4933== Warning: invalid file descriptor 1048565 in syscall close() ==4933== Warning: invalid file descriptor 1048566 in syscall close() ==4933== Warning: invalid file descriptor 1048567 in syscall close() ==4933== Use --log-fd= to select an alternative log fd. ==4933== Warning: invalid file descriptor 1048568 in syscall close() ==4933== Warning: invalid file descriptor 1048569 in syscall close() ==4935== Warning: invalid file descriptor 1048564 in syscall close() ==4935== Warning: invalid file descriptor 1048565 in syscall close() ==4935== Warning: invalid file descriptor 1048566 in syscall close() ==4935== Warning: invalid file descriptor 1048567 in syscall close() ==4935== Use --log-fd= to select an alternative log fd. ==4935== Warning: invalid file descriptor 1048568 in syscall close() ==4935== Warning: invalid file descriptor 1048569 in syscall close() ==4936== Warning: invalid file descriptor 1048564 in syscall close() ==4936== Warning: invalid file descriptor 1048565 in syscall close() ==4936== Warning: invalid file descriptor 1048566 in syscall close() ==4936== Warning: invalid file descriptor 1048567 in syscall close() ==4936== Use --log-fd= to select an alternative log fd. ==4936== Warning: invalid file descriptor 1048568 in syscall close() ==4936== Warning: invalid file descriptor 1048569 in syscall close() ==3085== ==3085== HEAP SUMMARY: ==3085== in use at exit: 1,718,308 bytes in 1,321 blocks ==3085== total heap usage: 31,270 allocs, 29,949 frees, 43,746,595 bytes allocated ==3085== ==3085== LEAK SUMMARY: ==3085== definitely lost: 0 bytes in 0 blocks ==3085== indirectly lost: 0 bytes in 0 blocks ==3085== possibly lost: 178,943 bytes in 97 blocks ==3085== still reachable: 1,539,365 bytes in 1,224 blocks ==3085== suppressed: 0 bytes in 0 blocks ==3085== Rerun with --leak-check=full to see details of leaked memory ==3085== ==3085== For counts of detected and suppressed errors, rerun with: -v ==3085== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16239 from 579) ================================================================================ 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 23:13:38) ===