!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Three_Body_Stillinger_Weber_Zhang_Silicene_Model2_Si__MO_475612090600_002 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 444.550672632 Forces: 1 -3.06323986e+01 -2.20103249e+01 -3.52214370e+01 2 -1.55978730e+01 6.39304012e+00 -5.57026025e+01 3 2.66311058e+00 -5.97072122e+01 -2.41444672e+00 4 -4.67624170e+01 1.59383434e+01 5.63946634e+00 5 1.97774192e+01 -4.76447669e+01 -2.91499703e+01 6 3.31691622e+01 -2.82144396e+00 -3.80410862e+01 7 2.11114264e+01 -3.99148004e+01 -5.50760711e+00 8 3.54475600e-01 -3.34538480e+01 4.41752104e+00 9 -2.88120879e+01 -6.00078527e+00 -4.31480165e+01 10 -4.68069217e+00 3.49012806e+01 -4.16309614e+01 11 -3.50302957e+01 -7.09592003e+00 -1.40692849e+01 12 -3.94761113e+01 3.25536838e+01 4.77906541e+00 13 1.55092206e+01 6.03373998e+00 -7.28896611e+01 14 1.68574754e+01 1.33108739e+01 -1.74544980e+01 15 7.26222246e+01 1.93536179e+01 -9.63632083e+00 16 1.23680294e+01 7.29305271e+01 -8.89900516e+00 17 -4.05472876e+01 -2.80245338e+01 -3.52466760e+00 18 1.20736702e+00 -3.30223203e+00 3.26821832e+00 19 2.28674145e+01 -4.88944141e+01 3.65227603e+01 20 -4.65281047e+01 2.49925394e+01 3.22495583e+01 21 6.29974642e+00 -3.76385262e+01 1.29689241e+01 22 4.10248533e+01 -7.40615585e+00 1.78408208e+01 23 7.31221454e+00 -5.13014610e+00 1.19368475e+01 24 1.57147322e+01 -8.50112060e+00 3.99121601e+01 25 -7.19009176e+01 -1.95558161e+01 3.97231726e+00 26 2.30433013e+01 6.68363841e+01 7.49837128e+00 27 -9.83793151e+00 -1.39827634e+01 4.58949963e+01 28 -3.64588343e+01 2.39687268e+01 2.51650440e+01 29 1.30356353e+01 7.30620231e+00 4.84089588e+01 30 3.46109023e+01 3.49915908e+01 5.82232259e+00 31 3.15275583e+01 -1.18025058e+00 3.55753056e+01 32 1.51886823e+01 3.27545103e+01 3.54169071e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1163.69463162 Forces: 1 -4.90087709e+00 1.29253393e+01 -2.87482265e+00 2 -4.81837833e-01 1.45001029e+01 -6.66282206e+00 3 3.78630314e+01 -2.56608537e+00 1.79411134e+00 4 7.05175378e+00 4.26192609e+01 2.03373526e+01 5 1.31579562e+01 -1.51428709e+01 5.04275481e+00 6 -8.05304393e+00 3.23493735e+01 -3.38573335e+01 7 -4.70406990e+01 7.14097832e-01 1.30187552e+01 8 -1.38478451e+01 -2.79668943e+01 1.34684307e+01 9 -7.00939279e+00 -2.77253051e+01 -2.17078107e+01 10 2.70845819e+01 -1.01978356e+01 -7.25695938e-01 11 -3.13593212e+01 -1.36928575e+01 6.50674831e+00 12 -9.60486182e+00 -2.12115208e+01 1.30064912e+01 13 1.59619264e+01 3.24780972e+00 -3.28107039e+01 14 -1.24647672e+01 -2.51159675e+01 -2.18596888e+01 15 2.47465454e+01 5.52872990e+00 2.45732382e+00 16 7.16302633e-02 3.09118713e+01 2.00240613e+00 17 1.03129765e+01 1.25381548e+01 -1.58260206e+00 18 2.12528792e+01 1.73973743e+01 -3.27196404e-01 19 4.65224326e+01 1.47070954e+00 -4.28150310e-01 20 -2.97204963e+01 6.33305982e+01 -1.88851791e+01 21 -4.87525538e+00 9.85843646e+00 1.30012257e+01 22 -3.80496870e+01 3.65790828e+01 2.26089682e+01 23 -3.62123884e+01 1.62093392e+01 -1.65189625e+01 24 1.42664248e+01 -4.93030714e+00 -5.37545577e+00 25 -3.70384517e+01 -5.89828127e+01 8.73810909e+00 26 4.95792815e+01 6.21194408e+00 1.02472078e+01 27 -1.07960785e+01 -2.17050531e+01 -1.20834971e+01 28 -9.03022612e+00 -3.61161786e+01 -1.24746205e+01 29 1.35297505e+01 -4.81617088e+00 4.64530478e+01 30 -4.74974549e+00 -1.77625745e+01 1.82456172e+00 31 5.87659859e+00 -2.35567628e+01 1.15571318e+01 32 1.79572057e+01 5.09697216e+00 -3.89008481e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==26338== Memcheck, a memory error detector ==26338== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==26338== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==26338== Command: python runner2.py Three_Body_Stillinger_Weber_Zhang_Silicene_Model2_Si__MO_475612090600_002 ==26338== ==26338== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==26338== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==26338== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==26338== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==26338== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==26338== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==26338== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==26338== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==26338== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==26338== ==26338== HEAP SUMMARY: ==26338== in use at exit: 4,038,043 bytes in 5,779 blocks ==26338== total heap usage: 83,741 allocs, 77,962 frees, 45,963,229 bytes allocated ==26338== ==26338== LEAK SUMMARY: ==26338== definitely lost: 0 bytes in 0 blocks ==26338== indirectly lost: 0 bytes in 0 blocks ==26338== possibly lost: 162,278 bytes in 95 blocks ==26338== still reachable: 3,875,765 bytes in 5,684 blocks ==26338== suppressed: 0 bytes in 0 blocks ==26338== Rerun with --leak-check=full to see details of leaked memory ==26338== ==26338== For counts of detected and suppressed errors, rerun with: -v ==26338== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2380 from 149) ================================================================================ 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.