!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ni__MO_758825945924_001 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 = 70.1130525453 Forces: 1 -1.07962113e+01 -9.15009923e+00 -1.34431037e+01 2 -1.53786554e+00 1.29785738e+01 -1.75402205e+01 3 2.06622731e+00 -1.41491414e+01 1.41401171e+01 4 -1.27687613e+01 9.55424750e+00 4.61042858e+00 5 1.93018047e+01 -1.63815336e+01 -1.28873735e+01 6 3.38855689e+00 -3.01732631e+00 -5.90559509e+00 7 1.00247929e+01 -3.55076860e+01 -3.12156401e+01 8 -1.59179945e+01 7.23840456e+00 7.28453318e-01 9 -1.59715503e+01 -9.02645041e+00 -2.30047567e+01 10 -5.90914990e+00 2.50908126e+01 -1.67044211e+01 11 3.69867439e+00 -8.98894696e+00 1.24971821e+01 12 -9.01786317e+00 1.17422181e+01 6.18910669e+00 13 8.65487611e+00 -1.35323562e+01 -1.95737009e+01 14 4.54300302e+00 4.56618995e+00 -2.32954952e+00 15 1.75021515e+01 3.09071196e+00 2.06415317e+00 16 1.52624139e+01 2.21651294e+01 -1.17586213e+00 17 -1.59907639e+01 -9.27615871e+00 2.24221348e+00 18 8.57438336e+00 1.30879539e+01 -6.53424379e+00 19 2.03814364e+00 -1.55059281e+01 1.25041546e+01 20 -7.63366121e+00 4.57000823e+00 5.37265154e+00 21 -1.03417872e+01 -1.29405634e+01 4.84158012e+00 22 2.07394427e+01 2.54803458e+01 2.41814124e+01 23 6.72001807e+00 -4.28740070e+00 5.08450883e+00 24 -3.11336370e+00 5.69116529e+00 7.28667982e+00 25 -1.57244884e+01 -4.85169075e+00 6.34639354e+00 26 -1.34961383e+01 2.20364989e+01 6.80432608e+00 27 6.79737057e+00 -1.55518531e+01 8.59881703e+00 28 -1.20263748e+01 1.16442178e+01 2.03059422e+00 29 -5.31880461e-01 -2.18874862e+01 5.66652167e+00 30 9.31998935e+00 1.16993089e+01 -4.15819806e+00 31 9.88924234e+00 -8.50964551e+00 1.04317190e+01 32 2.25676329e+00 1.19284800e+01 1.28516517e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 19.7578918996 Forces: 1 4.76832985e+00 -1.31619505e+01 2.62755345e+00 2 -5.74459353e+00 1.22901287e+01 -1.01526522e+01 3 -6.69925241e-01 -2.36552654e+00 1.34872068e+01 4 2.11343432e+00 1.01426295e+01 1.85100448e-01 5 3.20422782e+01 1.57950205e+01 -5.42940403e+00 6 -9.51745897e+00 9.22813999e+00 1.03739645e+01 7 8.29276366e-02 -3.37198040e+01 -3.32814869e+01 8 -1.46907424e+01 5.74723663e+00 -2.37511013e-01 9 -2.24669229e+01 -1.32438009e+01 1.00718054e+01 10 -2.55028493e+01 -3.90701212e+00 -4.01480042e+00 11 2.52874285e+00 -7.89969957e+00 1.13116337e+01 12 4.53036165e+00 3.18751289e+00 1.67313623e+01 13 1.07684627e+01 -1.78450283e+01 -5.53133466e+00 14 -1.52012420e+01 2.64652462e-01 -8.47422754e+00 15 1.26324604e+01 3.59448509e+00 1.16732833e+00 16 1.77425658e+01 1.39139294e+01 4.52464061e-01 17 5.60284164e+00 -1.66199367e+01 4.31271561e+00 18 7.64373932e+00 1.17274022e+01 -4.99065342e+00 19 1.88285362e+00 -5.72860892e+00 8.48119802e+00 20 1.72973653e+01 2.15295791e+01 -9.33059537e+00 21 -8.75462473e+00 -3.42533556e+00 6.13606064e+00 22 -5.06793910e-01 3.48912274e+01 2.74556286e+01 23 -1.50670547e+01 -1.61772531e+01 -4.45527597e+00 24 -3.04086408e+00 4.85230468e+00 -6.75870865e+00 25 -1.37043807e+01 -3.93965003e+00 6.64257974e+00 26 -1.42068318e+01 1.18336324e+01 6.69750608e+00 27 1.40938396e+01 -2.07312327e+01 -1.81610006e+01 28 -9.25950434e+00 1.13639293e+01 -7.82344010e+00 29 5.42011870e-01 -2.06679516e+01 6.72020435e+00 30 3.59651816e+00 2.70543415e+00 -6.53573047e+00 31 8.58570243e+00 -4.85989909e+00 4.13011754e+00 32 1.18793531e+01 1.12254451e+01 -1.18076082e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18174== Memcheck, a memory error detector ==18174== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==18174== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==18174== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ni__MO_758825945924_001 ==18174== ==18174== Warning: set address range perms: large range [0x21029000, 0x31529000) (defined) ==18174== Warning: set address range perms: large range [0x2126d000, 0x31529000) (defined) ==18174== Warning: set address range perms: large range [0x21029000, 0x31529000) (noaccess) ==18174== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==18174== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==18174== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==18174== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==18174== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==18174== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==18174== ==18174== HEAP SUMMARY: ==18174== in use at exit: 4,043,002 bytes in 5,778 blocks ==18174== total heap usage: 56,782 allocs, 51,004 frees, 44,722,809 bytes allocated ==18174== ==18174== LEAK SUMMARY: ==18174== definitely lost: 0 bytes in 0 blocks ==18174== indirectly lost: 0 bytes in 0 blocks ==18174== possibly lost: 162,838 bytes in 96 blocks ==18174== still reachable: 3,880,164 bytes in 5,682 blocks ==18174== suppressed: 0 bytes in 0 blocks ==18174== Rerun with --leak-check=full to see details of leaked memory ==18174== ==18174== For counts of detected and suppressed errors, rerun with: -v ==18174== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2393 from 157) ================================================================================ 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.