!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Cu__MO_173787283511_001 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 = 80.3635455635 Forces: 1 -1.01532648e+01 -8.38796504e+00 -1.23490267e+01 2 -1.14064096e+00 1.10092107e+01 -1.63083542e+01 3 1.91494785e+00 -1.34148103e+01 1.21952849e+01 4 -1.23406768e+01 8.40067057e+00 3.89910017e+00 5 1.67930151e+01 -1.49058548e+01 -1.18388363e+01 6 3.65918431e+00 -2.86366891e+00 -6.02194368e+00 7 9.50415736e+00 -3.07097309e+01 -2.64873451e+01 8 -1.35587500e+01 6.04948308e+00 7.22717719e-01 9 -1.44982498e+01 -7.66864819e+00 -2.07846593e+01 10 -5.04830887e+00 2.26297132e+01 -1.52187094e+01 11 2.86998046e+00 -7.96849958e+00 1.06527493e+01 12 -8.78233708e+00 1.09127063e+01 5.28147110e+00 13 7.67086602e+00 -1.16900443e+01 -1.81738175e+01 14 4.65637668e+00 4.56397139e+00 -2.45693246e+00 15 1.62120325e+01 2.75731951e+00 1.71598591e+00 16 1.32171213e+01 2.03008994e+01 -8.47787156e-01 17 -1.47163240e+01 -8.79662438e+00 1.98885550e+00 18 7.48637933e+00 1.13481278e+01 -5.40607841e+00 19 1.71706837e+00 -1.42635875e+01 1.15209943e+01 20 -7.46932711e+00 4.05279760e+00 5.37619837e+00 21 -8.94050407e+00 -1.23175783e+01 4.17791168e+00 22 1.87947961e+01 2.13843900e+01 2.03083683e+01 23 6.44613255e+00 -4.21818133e+00 5.05182266e+00 24 -2.72019910e+00 5.05931899e+00 7.34609944e+00 25 -1.44880718e+01 -4.17504997e+00 5.65364929e+00 26 -1.17282441e+01 2.01877166e+01 5.88221622e+00 27 5.66113281e+00 -1.35086167e+01 8.47569749e+00 28 -1.09758466e+01 1.04969866e+01 2.22304224e+00 29 -4.20783042e-01 -1.88479512e+01 5.05196653e+00 30 9.00820422e+00 1.09514189e+01 -3.54888832e+00 31 9.30865262e+00 -7.43144971e+00 9.78355074e+00 32 2.06148048e+00 1.10635304e+01 1.21346966e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 39.1859755231 Forces: 1 4.00549834e+00 -1.13213078e+01 2.22469579e+00 2 -4.75986312e+00 1.05157152e+01 -8.93832867e+00 3 -5.03479476e-01 -1.96850790e+00 1.17161019e+01 4 1.77798591e+00 9.00833720e+00 8.27968310e-02 5 2.73481588e+01 1.31357544e+01 -4.79151542e+00 6 -8.17901678e+00 8.14993435e+00 8.82060807e+00 7 -5.57510446e-02 -2.84840648e+01 -2.80894756e+01 8 -1.25735707e+01 4.82610292e+00 -2.86667602e-02 9 -1.95158898e+01 -1.16041136e+01 8.21683034e+00 10 -2.12584101e+01 -2.49288427e+00 -3.54156190e+00 11 1.88361681e+00 -7.10642288e+00 9.80969698e+00 12 3.40974391e+00 2.64206373e+00 1.42927126e+01 13 9.58666307e+00 -1.54694291e+01 -4.99109324e+00 14 -1.29696464e+01 2.19144710e-01 -7.10786352e+00 15 1.11309738e+01 3.14989664e+00 1.00782696e+00 16 1.54357800e+01 1.20872099e+01 6.60820873e-01 17 4.83662942e+00 -1.43912859e+01 3.70034083e+00 18 6.83021834e+00 1.02714953e+01 -4.12360816e+00 19 1.66082094e+00 -4.78234276e+00 7.15945125e+00 20 1.47463343e+01 1.87522907e+01 -7.90772304e+00 21 -7.56055060e+00 -2.85567464e+00 5.31048056e+00 22 -6.16857666e-01 2.95738232e+01 2.31083920e+01 23 -1.30629615e+01 -1.39454445e+01 -3.68217957e+00 24 -2.68754790e+00 4.34163829e+00 -5.99208654e+00 25 -1.20027973e+01 -3.43603338e+00 5.85874234e+00 26 -1.22509927e+01 1.01682088e+01 5.72978987e+00 27 1.16271558e+01 -1.81473073e+01 -1.54719900e+01 28 -8.08217723e+00 9.48143822e+00 -6.80627995e+00 29 4.97541259e-01 -1.79910109e+01 5.91150955e+00 30 3.30797153e+00 2.14735360e+00 -5.63455468e+00 31 7.60162480e+00 -4.21794127e+00 3.48071583e+00 32 1.03927953e+01 9.74336385e+00 -9.98458541e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==25213== Memcheck, a memory error detector ==25213== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==25213== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==25213== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Cu__MO_173787283511_001 ==25213== ==25213== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==25213== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==25213== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==25213== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==25213== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==25213== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==25213== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==25213== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==25213== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==25213== ==25213== HEAP SUMMARY: ==25213== in use at exit: 4,038,759 bytes in 5,774 blocks ==25213== total heap usage: 83,536 allocs, 77,762 frees, 46,897,223 bytes allocated ==25213== ==25213== LEAK SUMMARY: ==25213== definitely lost: 0 bytes in 0 blocks ==25213== indirectly lost: 0 bytes in 0 blocks ==25213== possibly lost: 162,838 bytes in 96 blocks ==25213== still reachable: 3,875,921 bytes in 5,678 blocks ==25213== suppressed: 0 bytes in 0 blocks ==25213== Rerun with --leak-check=full to see details of leaked memory ==25213== ==25213== For counts of detected and suppressed errors, rerun with: -v ==25213== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2381 from 156) ================================================================================ 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.