Model Extended KIM ID = === Verification check vc-memory-leak start (2017-12-16 09:59:49) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Jelinek_Ar__MO_831902330215_001 Supported species : Ar random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ar (Configuration in file "config-F-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 311.3604643 Forces: 1 -2.07697852e+01 -1.23817817e+01 -2.54867492e+01 2 -3.23898656e+00 1.13948719e+01 -2.53677629e+01 3 1.15336457e+01 -2.61425030e+01 1.33584178e+01 4 -2.16172771e+01 1.82636825e+01 6.91786823e+00 5 1.82087719e+01 -2.41510824e+01 -1.26736158e+01 6 9.95627937e+00 -4.71715523e+00 -9.20300243e+00 7 1.47413728e+01 -4.66542267e+01 -3.75097188e+01 8 -1.07514332e+01 8.36392805e+00 1.70516907e+00 9 -1.84879938e+01 -1.49546568e+01 -3.62360956e+01 10 -9.82134297e-01 2.69870183e+01 -2.51647213e+01 11 -9.22864103e+00 -5.57608811e+00 2.41317737e+01 12 -1.72200945e+01 2.01171749e+01 1.33219231e+01 13 3.19497897e+00 -8.71205768e+00 -3.58787828e+01 14 7.04863880e+00 8.91375960e+00 -9.03092318e+00 15 3.48803626e+01 -1.20048574e+01 2.30098487e+00 16 1.36509370e+00 3.95937518e+01 5.08750697e+00 17 -2.62712494e+01 -1.55915869e+01 2.64637103e+00 18 7.29627027e+00 1.96813175e+01 -1.49022201e+01 19 5.56003645e+00 -4.09551591e+01 1.73085386e+01 20 -2.63726962e+01 1.39236602e+01 1.79292485e+01 21 -8.48301157e+00 -1.81770875e+01 8.18348124e+00 22 2.81744201e+01 3.19477628e+01 2.96249748e+01 23 5.75279043e+00 -3.85417334e+00 8.47055907e+00 24 1.62822798e+01 7.45945801e+00 1.61171949e+01 25 -4.04025070e+01 -2.80178089e+01 -2.68460910e+01 26 1.72917196e+01 4.07571251e+01 -1.80153158e+01 27 1.76789709e+01 -3.31768221e+01 2.37823011e+01 28 -3.25450429e+01 3.98026924e+01 3.36983424e+01 29 -2.30572102e+00 -2.17833504e+01 9.69342602e+00 30 1.60752699e+01 1.99567584e+01 7.19392905e+00 31 1.49303629e+01 -8.84593158e+00 1.41167952e+01 32 8.70530981e+00 1.85333674e+01 2.07261933e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ar (Configuration in file "config-T-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 494.743485261 Forces: 1 -2.37888634e+00 -1.19657203e+01 -4.13820033e+00 2 -1.16396289e+01 1.19449477e+01 5.04116674e+00 3 1.42288820e+01 -9.14544818e+00 1.64915088e+01 4 -1.34134918e+00 2.19988962e+01 3.46299255e+00 5 3.50685856e+01 1.99192435e+01 -8.79964634e-01 6 -1.00686088e+01 8.21508335e+00 6.99516952e-01 7 -2.21253031e+00 -3.92557305e+01 -4.11483195e+01 8 -1.11544823e+01 8.63938609e+00 2.10908110e+00 9 -2.59418627e+01 -2.40473848e+01 1.21175321e+01 10 -2.21575245e+01 -1.03770844e+01 -3.36508053e+00 11 -9.06395867e+00 -5.90769375e+00 2.53654018e+01 12 6.48932199e+00 5.54547604e+00 2.63192594e+01 13 4.62726041e+00 -9.75839893e+00 -2.32311181e+01 14 -1.80341084e+01 -1.63242448e+00 -1.09324890e+01 15 2.21888042e+01 -1.74882461e+01 4.17283895e+00 16 2.30284555e+00 2.58238811e+01 7.97279481e+00 17 1.46561021e+01 -2.91715196e+01 4.89637704e+00 18 8.38012622e+00 2.03102620e+01 -1.50860490e+01 19 8.03825727e+00 -2.33906481e+01 8.71056248e+00 20 -9.71042796e+00 2.70872340e+01 -2.01653173e+00 21 -8.56438627e+00 -2.27553709e+00 8.33244685e+00 22 -1.05834267e+01 5.45465420e+01 3.33789457e+01 23 -1.48387133e+01 -4.02179842e+00 -7.47144270e+00 24 2.59395282e+01 9.65266072e+00 -1.47125709e+01 25 -2.25621691e+01 -3.52196589e+01 -2.63865599e+01 26 1.74369364e+01 2.44157717e+01 -2.10042279e+01 27 2.96769980e+01 -4.07155253e+01 -1.29954099e+01 28 -3.22448232e+01 3.88571182e+01 9.27608401e+00 29 -2.50466398e+00 -2.32861863e+01 9.48206941e+00 30 -5.79517794e-01 1.04377806e+01 7.29124603e+00 31 8.52112700e+00 -8.17997684e+00 5.06181753e+00 32 1.80262936e+01 8.44469889e+00 -6.81367820e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==23925== Memcheck, a memory error detector ==23925== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==23925== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==23925== Command: python runner2.py Pair_Morse_Shifted_Jelinek_Ar__MO_831902330215_001 ==23925== ==23925== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==23925== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==23925== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==23925== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==23925== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==23925== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==23925== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==23925== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==23925== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==23925== ==23925== HEAP SUMMARY: ==23925== in use at exit: 4,037,495 bytes in 5,772 blocks ==23925== total heap usage: 82,204 allocs, 76,432 frees, 46,699,624 bytes allocated ==23925== ==23925== LEAK SUMMARY: ==23925== definitely lost: 0 bytes in 0 blocks ==23925== indirectly lost: 0 bytes in 0 blocks ==23925== possibly lost: 162,838 bytes in 96 blocks ==23925== still reachable: 3,874,657 bytes in 5,676 blocks ==23925== suppressed: 0 bytes in 0 blocks ==23925== Rerun with --leak-check=full to see details of leaked memory ==23925== ==23925== For counts of detected and suppressed errors, rerun with: -v ==23925== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2380 from 150) ================================================================================ 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 10:00:16) ===