!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HighCutoff_Cr__MO_859700307573_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 = 130.286445814 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 = 133.712432866 Forces: 1 7.40356599e+00 -2.03254315e+01 4.06352115e+00 2 -9.44505794e+00 1.93161048e+01 -1.52474537e+01 3 -1.36996296e+00 -3.72181358e+00 2.07211224e+01 4 3.29093020e+00 1.50150844e+01 6.26333443e-01 5 5.10480979e+01 2.67973943e+01 -8.13983315e+00 6 -1.48392474e+01 1.37855815e+01 1.61434209e+01 7 2.81624170e-01 -5.46729102e+01 -5.39003999e+01 8 -2.29527429e+01 9.35535392e+00 -7.32633821e-01 9 -3.49205265e+01 -2.00006871e+01 1.70997008e+01 10 -4.20330910e+01 -9.38987908e+00 -6.16725381e+00 11 4.76098389e+00 -1.15378593e+01 1.75715161e+01 12 8.26042020e+00 5.08970302e+00 2.65263966e+01 13 1.61741090e+01 -2.75230259e+01 -8.06022053e+00 14 -2.39046139e+01 3.38168613e-01 -1.39080415e+01 15 1.89316361e+01 5.44241953e+00 1.85990003e+00 16 2.73578957e+01 2.12409499e+01 -7.18831679e-02 17 8.73033770e+00 -2.55396987e+01 6.83706882e+00 18 1.11407836e+01 1.77481663e+01 -8.01656319e+00 19 2.90051256e+00 -9.07895412e+00 1.33423639e+01 20 2.72991871e+01 3.30012090e+01 -1.49709045e+01 21 -1.34637199e+01 -5.37875195e+00 9.65072483e+00 22 -1.17549014e-01 5.64705688e+01 4.49551089e+01 23 -2.32831785e+01 -2.51131652e+01 -7.31172529e+00 24 -4.44364904e+00 7.03318679e+00 -1.00465627e+01 25 -2.07702905e+01 -6.02550004e+00 1.00822896e+01 26 -2.20871467e+01 1.83739893e+01 1.07721132e+01 27 2.34422722e+01 -3.15031127e+01 -2.92984031e+01 28 -1.44339821e+01 1.83709243e+01 -1.21316856e+01 29 1.11412372e+00 -3.16048480e+01 1.03218091e+01 30 4.98682947e+00 4.49416472e+00 -9.92961633e+00 31 1.26704994e+01 -7.43444934e+00 6.58169254e+00 32 1.82709494e+01 1.69771174e+01 -1.92219020e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==24359== Memcheck, a memory error detector ==24359== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==24359== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==24359== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Cr__MO_859700307573_001 ==24359== ==24359== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==24359== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==24359== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==24359== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==24359== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==24359== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==24359== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==24359== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==24359== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==24359== ==24359== HEAP SUMMARY: ==24359== in use at exit: 4,040,831 bytes in 5,776 blocks ==24359== total heap usage: 81,984 allocs, 76,208 frees, 47,105,964 bytes allocated ==24359== ==24359== LEAK SUMMARY: ==24359== definitely lost: 0 bytes in 0 blocks ==24359== indirectly lost: 0 bytes in 0 blocks ==24359== possibly lost: 162,838 bytes in 96 blocks ==24359== still reachable: 3,877,993 bytes in 5,680 blocks ==24359== suppressed: 0 bytes in 0 blocks ==24359== Rerun with --leak-check=full to see details of leaked memory ==24359== ==24359== For counts of detected and suppressed errors, rerun with: -v ==24359== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2386 from 154) ================================================================================ 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.