Model Extended KIM ID = === Verification check vc-memory-leak start (2017-12-16 10:01:21) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Cr__MO_483480726117_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 = 132.401253849 Forces: 1 -1.56164803e+01 -1.37198974e+01 -1.98588954e+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 2.99399361e+01 -2.49975334e+01 -1.94838738e+01 6 4.74201492e+00 -4.40304021e+00 -8.15362876e+00 7 1.44147351e+01 -5.71919001e+01 -5.07719409e+01 8 -2.42645658e+01 1.09494015e+01 3.09077850e-01 9 -2.41634440e+01 -1.35633664e+01 -3.48105954e+01 10 -9.62196985e+00 3.77113152e+01 -2.52663967e+01 11 5.97574680e+00 -1.27148432e+01 1.88583085e+01 12 -1.29468382e+01 1.73303513e+01 9.32741796e+00 13 1.35606133e+01 -2.03374370e+01 -2.86292703e+01 14 6.26814861e+00 6.44916252e+00 -3.37144859e+00 15 2.58647623e+01 4.98694160e+00 2.75048615e+00 16 2.40622025e+01 3.29708923e+01 -2.81668351e+00 17 -2.36464121e+01 -1.34852870e+01 3.78124465e+00 18 1.21251447e+01 1.91915822e+01 -9.65757978e+00 19 2.73402943e+00 -2.29488999e+01 1.86363817e+01 20 -1.07535000e+01 6.25331294e+00 7.58226777e+00 21 -1.53171061e+01 -1.86239791e+01 8.22625188e+00 22 3.19575305e+01 4.12580198e+01 4.00378189e+01 23 9.61485676e+00 -6.13415904e+00 7.12082590e+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 -1.81634804e+01 1.78308999e+01 2.93706734e+00 29 1.88340221e-02 -3.28629237e+01 9.21854526e+00 30 1.32904343e+01 1.70185210e+01 -5.86850276e+00 31 1.45673470e+01 -1.23411040e+01 1.54796425e+01 32 3.58947624e+00 1.75533315e+01 1.85522486e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 147.152674868 Forces: 1 7.41149806e+00 -2.03466776e+01 4.06443627e+00 2 -9.45503723e+00 1.93191215e+01 -1.52649513e+01 3 -1.37084225e+00 -3.72469683e+00 2.07279963e+01 4 3.28789872e+00 1.50085404e+01 6.36848149e-01 5 5.10726864e+01 2.68062173e+01 -8.14159741e+00 6 -1.48384532e+01 1.37875142e+01 1.61577099e+01 7 2.95867812e-01 -5.46871189e+01 -5.39117525e+01 8 -2.29647329e+01 9.34831924e+00 -7.47748922e-01 9 -3.49150779e+01 -2.00048828e+01 1.71082799e+01 10 -4.20585188e+01 -9.38709898e+00 -6.17144438e+00 11 4.74754041e+00 -1.15341304e+01 1.75844821e+01 12 8.26708650e+00 5.08810725e+00 2.65426139e+01 13 1.61807848e+01 -2.75291917e+01 -8.05999497e+00 14 -2.39143657e+01 3.25021739e-01 -1.39144847e+01 15 1.89318180e+01 5.45032023e+00 1.86019632e+00 16 2.73548413e+01 2.12478948e+01 -6.96004694e-02 17 8.73573077e+00 -2.55514479e+01 6.84713926e+00 18 1.11346687e+01 1.77521599e+01 -8.02978759e+00 19 2.90304353e+00 -9.07268092e+00 1.33557800e+01 20 2.73234090e+01 3.30171529e+01 -1.49690723e+01 21 -1.34765450e+01 -5.37878507e+00 9.64292662e+00 22 -1.25989278e-01 5.64814057e+01 4.49673147e+01 23 -2.33003269e+01 -2.51160244e+01 -7.32580040e+00 24 -4.44757457e+00 7.03993217e+00 -1.00493736e+01 25 -2.07619652e+01 -6.00710940e+00 1.00723824e+01 26 -2.20795531e+01 1.83737729e+01 1.07812630e+01 27 2.34527923e+01 -3.15170997e+01 -2.93035139e+01 28 -1.44497718e+01 1.83800232e+01 -1.21306366e+01 29 1.12045625e+00 -3.16177589e+01 1.03127264e+01 30 4.99397026e+00 4.48535550e+00 -9.93857169e+00 31 1.26721725e+01 -7.42487194e+00 6.59313724e+00 32 1.82724885e+01 1.69887162e+01 -1.92269015e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==26291== Memcheck, a memory error detector ==26291== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==26291== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==26291== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Cr__MO_483480726117_001 ==26291== ==26291== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==26291== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==26291== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==26291== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==26291== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==26291== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==26291== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==26291== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==26291== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==26291== ==26291== HEAP SUMMARY: ==26291== in use at exit: 4,039,303 bytes in 5,777 blocks ==26291== total heap usage: 83,493 allocs, 77,716 frees, 46,268,144 bytes allocated ==26291== ==26291== LEAK SUMMARY: ==26291== definitely lost: 0 bytes in 0 blocks ==26291== indirectly lost: 0 bytes in 0 blocks ==26291== possibly lost: 162,838 bytes in 96 blocks ==26291== still reachable: 3,876,465 bytes in 5,681 blocks ==26291== suppressed: 0 bytes in 0 blocks ==26291== Rerun with --leak-check=full to see details of leaked memory ==26291== ==26291== For counts of detected and suppressed errors, rerun with: -v ==26291== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2373 from 147) ================================================================================ 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. === Verification check vc-memory-leak end (2017-12-16 10:01:46) ===