!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_NN_Johnson_1988_Cu__MO_887933271505_003 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 = -16.695449474713953 Forces: 1 -2.17503059e+00 -5.74161757e+00 -6.10700195e+00 2 -4.70847781e+00 6.18438696e+00 -3.26817680e+00 3 4.81188169e+00 -2.73103036e+00 -1.56274344e+00 4 -2.84693059e+00 4.68503659e+00 3.96283717e+00 5 3.11838982e+00 -9.93557606e+00 -7.20226055e-01 6 3.83586336e+00 3.45186125e+00 -3.59365590e+00 7 3.20809636e+00 -2.16440354e+01 -2.13244662e+01 8 -1.22347344e+01 -8.14764345e+00 -2.34216897e+00 9 -7.88216331e+00 -5.35158126e+00 -1.20529441e+01 10 -3.49909768e+00 1.36251621e+01 -1.40573759e+01 11 -3.74250121e+00 -1.14952427e+01 1.01868484e+01 12 -5.84634869e+00 8.49669089e+00 3.08938545e+00 13 -4.98041072e+00 -1.00508175e+01 -2.92784205e+01 14 4.62512357e+00 6.37030063e+00 -3.84700550e+00 15 2.60437715e+01 -4.24010377e+00 7.35360743e+00 16 3.86085830e+00 1.97010176e+01 1.10731089e+01 17 -1.25575572e+01 -8.32588970e+00 -4.55570178e+00 18 8.06669281e+00 1.33419200e+01 -1.44841543e+01 19 5.74611624e+00 -1.36514594e+01 9.50201611e+00 20 -9.87105686e+00 5.40216492e+00 1.14664795e+01 21 -1.14053805e+01 -7.10409589e+00 2.45013956e+00 22 1.45010939e+01 1.78084634e+01 1.73818549e+01 23 4.44219512e+00 -8.24979304e-01 6.64009614e+00 24 4.37161235e+00 2.16140593e+00 5.47971509e+00 25 -6.54502738e+00 -5.00341670e+00 -1.20314599e-02 26 -4.05335725e+00 1.24476075e+01 -7.53446726e+00 27 1.05848533e+01 -2.40625533e+01 8.52952781e+00 28 -2.03601646e+01 1.80341822e+01 3.67806903e+00 29 -6.31262531e+00 -6.04892943e+00 4.42501795e+00 30 4.95196458e+00 8.94085933e+00 1.55422259e+00 31 1.06028904e+01 -6.21207548e+00 7.79219794e+00 32 6.24946092e+00 9.91998792e+00 1.01754163e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -16.695449474713953 Forces: 1 -2.17503059e+00 -5.74161757e+00 -6.10700195e+00 2 -4.70847781e+00 6.18438696e+00 -3.26817680e+00 3 4.81188169e+00 -2.73103036e+00 -1.56274344e+00 4 -2.84693059e+00 4.68503659e+00 3.96283717e+00 5 3.11838982e+00 -9.93557606e+00 -7.20226055e-01 6 3.83586336e+00 3.45186125e+00 -3.59365590e+00 7 3.20809636e+00 -2.16440354e+01 -2.13244662e+01 8 -1.22347344e+01 -8.14764345e+00 -2.34216897e+00 9 -7.88216331e+00 -5.35158126e+00 -1.20529441e+01 10 -3.49909768e+00 1.36251621e+01 -1.40573759e+01 11 -3.74250121e+00 -1.14952427e+01 1.01868484e+01 12 -5.84634869e+00 8.49669089e+00 3.08938545e+00 13 -4.98041072e+00 -1.00508175e+01 -2.92784205e+01 14 4.62512357e+00 6.37030063e+00 -3.84700550e+00 15 2.60437715e+01 -4.24010377e+00 7.35360743e+00 16 3.86085830e+00 1.97010176e+01 1.10731089e+01 17 -1.25575572e+01 -8.32588970e+00 -4.55570178e+00 18 8.06669281e+00 1.33419200e+01 -1.44841543e+01 19 5.74611624e+00 -1.36514594e+01 9.50201611e+00 20 -9.87105686e+00 5.40216492e+00 1.14664795e+01 21 -1.14053805e+01 -7.10409589e+00 2.45013956e+00 22 1.45010939e+01 1.78084634e+01 1.73818549e+01 23 4.44219512e+00 -8.24979304e-01 6.64009614e+00 24 4.37161235e+00 2.16140593e+00 5.47971509e+00 25 -6.54502738e+00 -5.00341670e+00 -1.20314599e-02 26 -4.05335725e+00 1.24476075e+01 -7.53446726e+00 27 1.05848533e+01 -2.40625533e+01 8.52952781e+00 28 -2.03601646e+01 1.80341822e+01 3.67806903e+00 29 -6.31262531e+00 -6.04892943e+00 4.42501795e+00 30 4.95196458e+00 8.94085933e+00 1.55422259e+00 31 1.06028904e+01 -6.21207548e+00 7.79219794e+00 32 6.24946092e+00 9.91998792e+00 1.01754163e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==200757== Memcheck, a memory error detector ==200757== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==200757== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==200757== Command: python runner2.py EAM_NN_Johnson_1988_Cu__MO_887933271505_003 ==200757== ==203553== Warning: invalid file descriptor 1024 in syscall close() ==203553== Warning: invalid file descriptor 1025 in syscall close() ==203553== Warning: invalid file descriptor 1026 in syscall close() ==203553== Warning: invalid file descriptor 1027 in syscall close() ==203553== Use --log-fd= to select an alternative log fd. ==203553== Warning: invalid file descriptor 1028 in syscall close() ==203553== Warning: invalid file descriptor 1029 in syscall close() ==200757== ==200757== HEAP SUMMARY: ==200757== in use at exit: 2,257,591 bytes in 1,700 blocks ==200757== total heap usage: 42,892 allocs, 41,192 frees, 58,176,471 bytes allocated ==200757== ==200757== LEAK SUMMARY: ==200757== definitely lost: 0 bytes in 0 blocks ==200757== indirectly lost: 0 bytes in 0 blocks ==200757== possibly lost: 180,827 bytes in 103 blocks ==200757== still reachable: 2,076,732 bytes in 1,596 blocks ==200757== of which reachable via heuristic: ==200757== stdstring : 38 bytes in 1 blocks ==200757== suppressed: 32 bytes in 1 blocks ==200757== Rerun with --leak-check=full to see details of leaked memory ==200757== ==200757== For lists of detected and suppressed errors, rerun with: -s ==200757== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7797 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.