!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Cr__MO_245813471114_001 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 130.483487756 Forces: 1 -1.56067612e+01 -1.37090001e+01 -1.98475110e+01 2 -3.46462023e+00 1.98793120e+01 -2.57558247e+01 3 2.01762147e+00 -2.04013658e+01 2.12514794e+01 4 -1.80628061e+01 1.38840449e+01 6.77453305e+00 5 2.99392020e+01 -2.49914959e+01 -1.94778704e+01 6 4.73906776e+00 -4.40255141e+00 -8.15065673e+00 7 1.44074261e+01 -5.71849642e+01 -5.07709632e+01 8 -2.42645658e+01 1.09494015e+01 3.09077850e-01 9 -2.41625018e+01 -1.35641201e+01 -3.48095513e+01 10 -9.62171704e+00 3.77065991e+01 -2.52619028e+01 11 5.97574680e+00 -1.27148432e+01 1.88583085e+01 12 -1.29412173e+01 1.73251000e+01 9.32845228e+00 13 1.35606133e+01 -2.03374370e+01 -2.86292703e+01 14 6.25942848e+00 6.44037956e+00 -3.36292745e+00 15 2.58647623e+01 4.98694160e+00 2.75048615e+00 16 2.40622025e+01 3.29708923e+01 -2.81668351e+00 17 -2.36418427e+01 -1.34809359e+01 3.78083857e+00 18 1.21251447e+01 1.91915822e+01 -9.65757978e+00 19 2.73517538e+00 -2.29443316e+01 1.86321445e+01 20 -1.07508427e+01 6.25386546e+00 7.57966305e+00 21 -1.53171061e+01 -1.86239791e+01 8.22625188e+00 22 3.19575305e+01 4.12580198e+01 4.00378189e+01 23 9.60650386e+00 -6.12504472e+00 7.11267290e+00 24 -4.25354629e+00 7.69826683e+00 1.03688338e+01 25 -2.36100993e+01 -6.85984287e+00 9.83144261e+00 26 -2.12388227e+01 3.28290423e+01 1.12069887e+01 27 1.03802576e+01 -2.32088187e+01 1.21937782e+01 28 -1.81526323e+01 1.78185652e+01 2.92484220e+00 29 1.88340221e-02 -3.28629237e+01 9.21854526e+00 30 1.32860625e+01 1.70144404e+01 -5.86945467e+00 31 1.45653617e+01 -1.23423193e+01 1.54777546e+01 32 3.58814070e+00 1.75475203e+01 1.85462835e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 135.80189088 Forces: 1 7.39955099e+00 -2.03237521e+01 4.06451066e+00 2 -9.44257885e+00 1.93148612e+01 -1.52493965e+01 3 -1.37194540e+00 -3.72402877e+00 2.07190199e+01 4 3.28943816e+00 1.50176191e+01 6.27019585e-01 5 5.10445037e+01 2.67964515e+01 -8.13840720e+00 6 -1.48377566e+01 1.37869353e+01 1.61386958e+01 7 2.80160440e-01 -5.46717832e+01 -5.38996138e+01 8 -2.29482966e+01 9.35813670e+00 -7.29089453e-01 9 -3.49176154e+01 -1.99985167e+01 1.71010113e+01 10 -4.20308366e+01 -9.38920365e+00 -6.16491318e+00 11 4.75933371e+00 -1.15383885e+01 1.75689203e+01 12 8.25832465e+00 5.09078135e+00 2.65233166e+01 13 1.61731826e+01 -2.75208516e+01 -8.06021978e+00 14 -2.39024484e+01 3.38036450e-01 -1.39068032e+01 15 1.89276982e+01 5.43942127e+00 1.86211426e+00 16 2.73551735e+01 2.12382326e+01 -7.23994505e-02 17 8.72939332e+00 -2.55379774e+01 6.83536558e+00 18 1.11393639e+01 1.77472371e+01 -8.01574386e+00 19 2.89919345e+00 -9.07837268e+00 1.33405843e+01 20 2.72978168e+01 3.29993803e+01 -1.49690985e+01 21 -1.34616803e+01 -5.37813627e+00 9.65186973e+00 22 -1.17114556e-01 5.64684870e+01 4.49531523e+01 23 -2.32784018e+01 -2.51107727e+01 -7.31192913e+00 24 -4.44293208e+00 7.03206037e+00 -1.00440643e+01 25 -2.07663613e+01 -6.02383060e+00 1.00804844e+01 26 -2.20835090e+01 1.83736513e+01 1.07738720e+01 27 2.34389944e+01 -3.15039638e+01 -2.93003556e+01 28 -1.44350440e+01 1.83692360e+01 -1.21320734e+01 29 1.11668831e+00 -3.16037380e+01 1.03216043e+01 30 4.98813509e+00 4.49513113e+00 -9.92745918e+00 31 1.26689224e+01 -7.43517047e+00 6.58035167e+00 32 1.82706473e+01 1.69728280e+01 -1.92203260e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==20131== Memcheck, a memory error detector ==20131== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==20131== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==20131== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Cr__MO_245813471114_001 ==20131== ==20131== Warning: set address range perms: large range [0x21029000, 0x31529000) (defined) ==20131== Warning: set address range perms: large range [0x2126d000, 0x31529000) (defined) ==20131== Warning: set address range perms: large range [0x21029000, 0x31529000) (noaccess) ==20131== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==20131== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==20131== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==20131== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==20131== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==20131== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==20131== ==20131== HEAP SUMMARY: ==20131== in use at exit: 4,043,378 bytes in 5,779 blocks ==20131== total heap usage: 58,216 allocs, 52,437 frees, 44,692,811 bytes allocated ==20131== ==20131== LEAK SUMMARY: ==20131== definitely lost: 0 bytes in 0 blocks ==20131== indirectly lost: 0 bytes in 0 blocks ==20131== possibly lost: 162,838 bytes in 96 blocks ==20131== still reachable: 3,880,540 bytes in 5,683 blocks ==20131== suppressed: 0 bytes in 0 blocks ==20131== Rerun with --leak-check=full to see details of leaked memory ==20131== ==20131== For counts of detected and suppressed errors, rerun with: -v ==20131== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2394 from 153) ================================================================================ 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.