!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Al__MO_411898953661_001 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 195.114979739 Forces: 1 -1.43601141e+01 -1.10461700e+01 -1.62970547e+01 2 -7.86781769e-01 1.03949012e+01 -2.33155659e+01 3 1.00231022e+00 -2.27422646e+01 9.66641000e+00 4 -2.04806905e+01 9.31597724e+00 2.70568630e+00 5 1.83296365e+01 -1.94457922e+01 -1.60168158e+01 6 7.34268396e+00 -4.18658557e+00 -1.05547756e+01 7 1.39422947e+01 -3.36712113e+01 -2.66920426e+01 8 -6.71344696e+00 5.78279794e+00 -3.70295402e+00 9 -1.85439127e+01 -7.16584105e+00 -2.61247345e+01 10 -5.24502429e+00 2.80534507e+01 -1.97297924e+01 11 1.29719192e+00 -6.73023941e+00 8.49961649e+00 12 -1.38319337e+01 1.49650109e+01 5.07717702e+00 13 9.14124296e+00 -1.19510078e+01 -2.47550654e+01 14 8.26634013e+00 7.64503384e+00 -4.73167218e+00 15 2.20718041e+01 3.45891187e+00 1.18855229e+00 16 1.42631922e+01 2.65827415e+01 -5.43589572e-01 17 -1.82936450e+01 -1.11573619e+01 4.49751201e+00 18 1.15507977e-01 7.51353461e+00 1.05710338e+01 19 1.21486250e+00 -1.27853418e+01 1.16075280e+01 20 -8.88579476e+00 4.43969621e+00 6.63080022e+00 21 -8.04532792e+00 -1.93265109e+01 5.84772015e+00 22 2.43430750e+01 2.01758404e+01 1.96519277e+01 23 9.64703324e+00 -6.80294826e+00 8.29761352e+00 24 -4.36525169e+00 5.53270980e+00 1.17366217e+01 25 -1.95920615e+01 -4.73346952e+00 8.15995335e+00 26 -1.28287678e+01 2.64848625e+01 6.55100266e+00 27 4.80818306e+00 -1.59850135e+01 1.25195765e+01 28 -1.42929163e+01 1.31430904e+01 4.60926090e+00 29 5.50388025e-01 -1.82721822e+01 6.62178031e+00 30 1.38070969e+01 1.52605819e+01 -3.21211089e+00 31 1.33310036e+01 -7.76648031e+00 1.38933309e+01 32 2.79182192e+00 1.50192791e+01 1.73430697e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 197.179650654 Forces: 1 3.55632365e+00 -1.15538794e+01 2.00659503e+00 2 -4.23857194e+00 1.06400565e+01 -1.12963508e+01 3 -1.42601224e+00 -4.98774611e+00 9.88244799e+00 4 -3.43553323e-02 1.05810003e+01 -8.75749910e-01 5 2.77779662e+01 1.23347485e+01 -5.59166489e+00 6 -8.40726684e+00 9.22441484e+00 8.55400212e+00 7 -4.42381041e-01 -2.79156006e+01 -2.73445426e+01 8 -6.37247474e+00 5.20127322e+00 -3.80127706e+00 9 -2.10896602e+01 -1.27407232e+01 6.88312247e+00 10 -1.95859899e+01 1.60684736e-01 -4.04879414e+00 11 6.96772308e-01 -6.50108612e+00 8.85122878e+00 12 1.54180881e+00 2.23490634e+00 1.44804848e+01 13 1.13053217e+01 -1.64136535e+01 -6.08640495e+00 14 -1.29111354e+01 1.44167363e-01 -6.73451287e+00 15 1.24998268e+01 3.50510666e+00 1.04783354e+00 16 1.67464638e+01 1.28385772e+01 1.65590726e+00 17 6.29753527e+00 -1.34957194e+01 5.80958109e+00 18 8.51845397e-02 7.18553330e+00 1.11905673e+01 19 1.74821695e+00 1.88425698e+00 2.91627964e+00 20 1.76209712e+01 2.03543016e+01 -1.01715543e+01 21 -6.86541270e+00 -3.74215520e+00 6.83048264e+00 22 -6.46898932e-01 2.94069446e+01 2.25388631e+01 23 -1.38424396e+01 -1.44657480e+01 -3.24283403e+00 24 -4.65580395e+00 5.11366645e+00 -7.77289202e+00 25 -1.32713637e+01 -4.49284272e+00 8.00780209e+00 26 -1.28039721e+01 1.03560702e+01 6.02718710e+00 27 1.02115540e+01 -2.18444735e+01 -1.69290319e+01 28 -8.98271267e+00 8.57840440e+00 -7.41964079e+00 29 1.18743797e+00 -1.87102805e+01 7.00130370e+00 30 4.21323514e+00 1.38503973e+00 -5.75943853e+00 31 8.56701996e+00 -4.47717552e+00 3.27101534e+00 32 1.15208129e+01 1.02119309e+01 -9.88001513e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==19591== Memcheck, a memory error detector ==19591== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==19591== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==19591== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Al__MO_411898953661_001 ==19591== ==19591== Warning: set address range perms: large range [0x21029000, 0x31529000) (defined) ==19591== Warning: set address range perms: large range [0x2126d000, 0x31529000) (defined) ==19591== Warning: set address range perms: large range [0x21029000, 0x31529000) (noaccess) ==19591== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==19591== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==19591== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==19591== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==19591== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==19591== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==19591== ==19591== HEAP SUMMARY: ==19591== in use at exit: 4,043,002 bytes in 5,778 blocks ==19591== total heap usage: 57,724 allocs, 51,946 frees, 44,802,774 bytes allocated ==19591== ==19591== LEAK SUMMARY: ==19591== definitely lost: 0 bytes in 0 blocks ==19591== indirectly lost: 0 bytes in 0 blocks ==19591== possibly lost: 162,838 bytes in 96 blocks ==19591== still reachable: 3,880,164 bytes in 5,682 blocks ==19591== suppressed: 0 bytes in 0 blocks ==19591== Rerun with --leak-check=full to see details of leaked memory ==19591== ==19591== For counts of detected and suppressed errors, rerun with: -v ==19591== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2393 from 158) ================================================================================ 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.