!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LowCutoff_Pb__MO_534638645497_001 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 = 1029.61543345 Forces: 1 -5.87800276e+01 -6.08436134e+01 -7.86328898e+01 2 2.15920722e+01 2.22273868e+00 -8.28103675e+01 3 2.32879583e+01 -7.73356274e+01 2.98136063e+01 4 -7.90781708e+01 4.32366909e+01 4.96491472e+01 5 1.92991631e+01 -6.36957300e+01 -4.00278033e+01 6 3.00765483e+01 6.41190657e+00 -4.41192022e+01 7 4.13277277e+01 -7.19191865e+01 -3.93343166e+01 8 1.15945880e+01 -2.60782913e+01 6.19564713e+00 9 -4.74086567e+01 8.38009407e+00 -8.97487809e+01 10 -2.01844746e+01 6.51278980e+01 -7.06685233e+01 11 -3.94239202e+01 4.92180615e+00 4.67298606e+01 12 -3.98361027e+01 4.61090474e+01 1.27231712e+01 13 2.13323519e+01 -2.98199353e+01 -1.02825891e+02 14 2.55601469e+01 2.83186320e+01 -2.99014346e+01 15 1.00650354e+02 -2.81759155e+01 -3.00911409e+00 16 2.12370747e+00 1.10814908e+02 1.11970801e+01 17 -7.57920718e+01 -3.86834567e+01 -2.49152089e-01 18 -7.31952759e-01 4.14096516e+01 -3.02633985e+01 19 1.11830048e+01 -1.06376581e+02 5.07137623e+01 20 -7.43560080e+01 3.10053756e+01 5.34302555e+01 21 -5.01486482e+00 -5.59883661e+01 6.32097477e+00 22 6.74477385e+01 4.20564075e+01 5.16301706e+01 23 1.98471087e+01 -1.41255691e+01 2.75291717e+01 24 4.44298015e+01 1.64865746e+01 5.36630460e+01 25 -1.03874077e+02 -6.19137888e+01 -6.38646771e+01 26 3.09473547e+01 1.07359914e+02 -4.50244451e+01 27 3.36301775e+01 -7.26940031e+01 7.03990649e+01 28 -8.14933671e+01 9.42404200e+01 8.62297649e+01 29 -3.00674678e+00 -3.13893511e+01 3.69209629e+01 30 5.17388084e+01 5.92858504e+01 1.90604813e+01 31 4.66870413e+01 -2.32328104e+01 4.54081637e+01 32 2.62247881e+01 5.48843092e+01 6.28656656e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1495.85098049 Forces: 1 1.69515200e+01 -6.43078328e+01 -1.75475275e+01 2 5.79795407e+00 4.94977644e+00 2.97158186e+00 3 3.08442942e+01 -2.28598914e+01 3.90981075e+01 4 -1.47890661e+01 5.95406332e+01 6.34742555e+01 5 3.69655807e+01 1.35571659e+01 -1.82043996e+01 6 -6.52038076e+01 6.03449900e+01 -1.08048682e+01 7 -1.02835895e+01 -5.07341919e+01 -3.35841618e+01 8 1.10473661e+01 -2.57447204e+01 7.12399162e+00 9 -6.21974318e+01 -1.18517756e+01 9.58638513e+00 10 -4.28123295e+01 1.84012276e+01 -9.86202723e+00 11 -3.87301965e+01 3.37018130e+00 5.26054587e+01 12 2.40970019e+01 -5.13886957e-01 4.30851780e+01 13 2.61419786e+01 -3.28429495e+01 -5.92392236e+01 14 -3.71460040e+01 -9.61070333e+00 -2.71406537e+01 15 5.96420400e+01 -4.34929351e+01 4.26969008e+00 16 3.68992439e+00 5.68429715e+01 2.14800362e+01 17 1.90272175e+01 -5.54023007e+01 -1.39853602e+00 18 4.17081677e+00 4.42784626e+01 -3.12850988e+01 19 2.43656865e+01 -5.14858074e+01 2.45442006e+01 20 -2.28173885e+01 6.33195503e+01 -1.63635092e+01 21 -5.35919742e+00 -8.02349815e-01 7.36133435e+00 22 -2.20156812e+01 9.54123040e+01 5.00366121e+01 23 -4.08422771e+01 -2.36966436e+01 -3.31127148e+01 24 6.40130738e+01 1.70642942e+01 -2.92632220e+01 25 -4.94129192e+01 -8.13824145e+01 -6.33678791e+01 26 3.26903912e+01 5.26223412e+01 -5.25002718e+01 27 5.93776174e+01 -7.80122367e+01 -2.09682828e+01 28 -6.92759908e+01 7.15456893e+01 3.85213245e+01 29 -3.66732625e+00 -3.77821258e+01 3.60571664e+01 30 -2.48453936e-01 2.94905378e+01 1.46091242e+01 31 2.18129390e+01 -2.62845283e+01 1.82303015e+01 32 4.41662573e+01 2.60671684e+01 -8.41237200e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18935== Memcheck, a memory error detector ==18935== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==18935== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==18935== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Pb__MO_534638645497_001 ==18935== ==18935== Warning: set address range perms: large range [0x21029000, 0x31529000) (defined) ==18935== Warning: set address range perms: large range [0x2126d000, 0x31529000) (defined) ==18935== Warning: set address range perms: large range [0x21029000, 0x31529000) (noaccess) ==18935== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==18935== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==18935== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==18935== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==18935== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==18935== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==18935== ==18935== HEAP SUMMARY: ==18935== in use at exit: 4,043,634 bytes in 5,779 blocks ==18935== total heap usage: 57,357 allocs, 51,578 frees, 44,790,277 bytes allocated ==18935== ==18935== LEAK SUMMARY: ==18935== definitely lost: 0 bytes in 0 blocks ==18935== indirectly lost: 0 bytes in 0 blocks ==18935== possibly lost: 162,838 bytes in 96 blocks ==18935== still reachable: 3,880,796 bytes in 5,683 blocks ==18935== suppressed: 0 bytes in 0 blocks ==18935== Rerun with --leak-check=full to see details of leaked memory ==18935== ==18935== For counts of detected and suppressed errors, rerun with: -v ==18935== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2392 from 160) ================================================================================ 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.