!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Three_Body_Stillinger_Weber_Zhang_Silicene_Model1_Si__MO_800412945727_002 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 232.876848471 Forces: 1 -2.38342026e+01 -1.97648977e+01 -3.35599242e+01 2 -9.76525537e+00 1.14983636e+01 -4.18478344e+01 3 8.65605892e+00 -4.79673648e+01 4.58415845e+00 4 -3.77555195e+01 1.79054409e+01 6.78877361e+00 5 1.85199763e+01 -3.33586798e+01 -1.87389542e+01 6 2.16281385e+01 1.42723090e+00 -2.45688403e+01 7 1.44567597e+01 -2.56633341e+01 2.78869994e+00 8 5.53633404e+00 -3.77922422e+01 -2.04020301e+01 9 -2.18686410e+01 -8.09574898e+00 -3.56178235e+01 10 -4.61444655e+00 2.91740941e+01 -2.54008709e+01 11 -1.99335003e+01 -4.63058377e+00 -6.79887363e-01 12 -2.39344287e+01 2.88320935e+01 8.90714105e+00 13 1.68616101e+00 -2.68099728e+00 -5.57333423e+01 14 2.15271737e+01 2.39094443e+01 -2.10561478e+01 15 5.14151443e+01 -7.79865559e+00 -7.22969937e+00 16 -6.29695711e+00 5.31360156e+01 5.70121190e+00 17 -2.21209011e+01 -1.62527000e+01 1.03198771e+01 18 -3.19565210e+00 1.68852521e+00 1.66819398e+01 19 1.18586739e+00 -1.09539101e+01 2.09269832e+01 20 -9.33640265e+00 5.95358992e+00 1.16733455e+01 21 5.15834422e+00 -2.97026364e+01 4.66957898e+00 22 3.01756246e+01 -5.51344755e+00 1.09440818e+01 23 4.89234912e+00 -3.64830130e+00 6.43565218e+00 24 1.08925477e+00 -1.25211242e+01 3.14140788e+01 25 -2.09055892e+01 2.05299618e+00 1.78637686e+01 26 -1.49524220e+01 3.28717501e+01 -4.85175253e-01 27 -2.80878843e+01 -1.28867869e+01 2.40289633e+01 28 -1.38718985e+01 5.67535450e+00 5.52967743e+00 29 -3.08793738e-01 8.44037300e+00 4.28552544e+01 30 2.86722294e+01 2.25334572e+01 7.52048624e+00 31 3.64264155e+01 -9.43065708e-01 1.90130950e+01 32 9.75666309e+00 3.50757475e+01 2.66737624e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 682.359441254 Forces: 1 4.43007973e+00 -1.60337242e+00 -2.26896793e+01 2 -4.59779581e+00 1.53794422e+01 -1.78114777e+01 3 2.76457845e+01 -1.13291214e+01 1.20783485e+01 4 7.82872520e+00 3.34149016e+01 1.69233940e+01 5 9.76592377e+00 -1.00539609e+01 -5.90868140e-01 6 -9.78619244e+00 2.53369728e+01 -1.34191024e+01 7 -3.34952086e+01 9.56039193e+00 1.64589642e+01 8 -5.91763666e+00 -3.63062531e+01 -1.31501042e+01 9 -4.34965161e+00 -2.84501896e+01 -2.63966003e+01 10 1.16417373e+01 -1.65744330e+00 -3.85788674e+00 11 -1.86841601e+01 -9.55319349e+00 1.16562000e+01 12 2.88622779e+01 -6.96917365e+00 2.92247856e+01 13 5.13554503e+00 -3.71120247e+00 -1.61768573e+01 14 -2.62196218e+01 -7.03447232e-01 -4.02829484e+01 15 1.41196919e+01 -1.93525978e+01 -2.08002518e+00 16 -1.88593160e+01 2.34387901e+01 1.48666727e+01 17 1.10336743e+01 -7.85907223e+00 1.76937622e+01 18 1.12035756e+01 9.42084711e+00 1.52952128e+01 19 1.01391374e+01 1.65588506e+01 -6.24098693e+00 20 2.34616742e+01 3.65747138e+01 -1.52566762e+01 21 -3.06165049e+00 3.35872639e+00 8.69175550e+00 22 -1.11427066e+01 1.92307329e+01 1.59477739e+01 23 -2.70655173e+01 -1.23742174e+01 -2.05730548e+01 24 -7.66771538e+00 -1.10082337e+01 -2.64277098e-01 25 1.67869793e+01 -1.39915917e+01 2.44877748e+01 26 -1.03955819e+01 -3.51868311e+00 2.21364694e-01 27 -3.20518163e+01 -1.93624237e+01 -1.66704110e+01 28 -9.22688742e+00 -1.31721464e+01 -1.95398526e+01 29 -7.98078265e+00 2.94313589e+00 3.99364198e+01 30 1.32231920e+01 -1.11554598e+00 1.96920133e+01 31 2.61772270e+01 -7.64623870e+00 -2.76866108e+00 32 9.04701578e+00 2.45206029e+01 -5.40497246e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18020== Memcheck, a memory error detector ==18020== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==18020== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==18020== Command: python runner2.py Three_Body_Stillinger_Weber_Zhang_Silicene_Model1_Si__MO_800412945727_002 ==18020== ==18020== Warning: set address range perms: large range [0x21029000, 0x31529000) (defined) ==18020== Warning: set address range perms: large range [0x2126d000, 0x31529000) (defined) ==18020== Warning: set address range perms: large range [0x21029000, 0x31529000) (noaccess) ==18020== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==18020== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==18020== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==18020== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==18020== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==18020== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==18020== ==18020== HEAP SUMMARY: ==18020== in use at exit: 4,043,572 bytes in 5,785 blocks ==18020== total heap usage: 57,037 allocs, 51,252 frees, 43,872,332 bytes allocated ==18020== ==18020== LEAK SUMMARY: ==18020== definitely lost: 0 bytes in 0 blocks ==18020== indirectly lost: 0 bytes in 0 blocks ==18020== possibly lost: 162,278 bytes in 95 blocks ==18020== still reachable: 3,881,294 bytes in 5,690 blocks ==18020== suppressed: 0 bytes in 0 blocks ==18020== Rerun with --leak-check=full to see details of leaked memory ==18020== ==18020== For counts of detected and suppressed errors, rerun with: -v ==18020== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2394 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.