!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Balamane_Hauch_Brittle_Si__MO_381114941873_000 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 = 1420.38126095 Forces: 1 -7.43575497e+01 -5.38434947e+01 -7.83203209e+01 2 -4.67263930e+01 -1.78324792e+00 -1.30977091e+02 3 -2.24486609e+01 -1.38946693e+02 -2.20946868e+01 4 -1.17102463e+02 7.57472766e+00 2.16541383e+00 5 5.58810964e+01 -1.20391589e+02 -9.49315251e+01 6 8.08813318e+01 -1.36973151e+01 -8.99559849e+01 7 6.68606733e+01 -1.04763672e+02 -1.19300996e+01 8 2.21716525e+01 -6.82744763e+01 -1.50299801e+01 9 -7.67533859e+01 6.49969882e+00 -9.90692564e+01 10 -2.73969401e+00 8.16927180e+01 -1.07738966e+02 11 -8.34673597e+01 5.21312109e+00 -5.09626140e+01 12 -1.00430807e+02 7.42491745e+01 -3.85677845e+00 13 3.86317902e+01 3.57078345e+01 -1.61132458e+02 14 4.10857803e+01 3.02874729e+01 -4.55467660e+01 15 1.61151681e+02 5.18695558e+01 -3.21414535e+01 16 4.05048965e+01 1.68120685e+02 -4.07192975e+01 17 -8.53818118e+01 -5.41229876e+01 1.49351940e+01 18 -1.81628448e+01 -2.73694784e+01 2.88465447e+01 19 2.08809933e+01 -9.13638389e+01 7.67963082e+01 20 -8.56848838e+01 1.18171539e+01 6.35401895e+01 21 3.40739104e+01 -9.70405318e+01 3.57081567e+01 22 1.09096073e+02 -3.43783308e+01 3.95007051e+01 23 2.30572068e+01 -2.26676368e+01 3.52759353e+01 24 2.78627540e+01 -2.60065217e+01 1.16768238e+02 25 -1.86719523e+02 -2.33906246e+01 3.60992600e+01 26 5.58059011e+00 1.57025702e+02 4.12660965e+01 27 -4.06335103e+01 -3.12877532e+00 1.12766551e+02 28 -7.31659991e+01 4.86279625e+01 5.16914161e+01 29 4.81272193e+01 3.04553705e+01 8.61052396e+01 30 9.76534606e+01 8.62650499e+01 3.33930448e+01 31 8.52147834e+01 1.04374079e+01 1.01125892e+02 32 5.50589943e+01 7.53255789e+01 1.08423093e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 3651.8519661 Forces: 1 -2.27610200e+01 2.20545117e+01 -2.77609652e+01 2 2.52940204e+00 2.60982471e+01 -3.90146837e+00 3 1.08797466e+02 2.62690133e+01 1.60683338e+01 4 2.02600078e+01 9.03056234e+01 6.13087464e+01 5 3.62664308e+01 -4.64007472e+01 -6.86055411e+00 6 -3.49848339e+01 6.62768139e+01 -7.28652672e+01 7 -7.79565051e+01 -4.74284041e+00 3.07381300e+01 8 -1.50697026e+01 -5.19549700e+01 1.76308143e+01 9 -3.15593393e+01 -4.46246721e+01 -4.43163489e+01 10 7.70228244e+01 -3.45580018e+01 -1.02559215e+01 11 -6.27330279e+01 -2.54032152e+01 2.22259292e+01 12 -2.43201143e+01 -7.22475510e+01 2.62567367e+01 13 1.97607568e+01 2.69027702e+01 -6.52759763e+01 14 -5.63793745e+01 -8.07635712e+01 -5.78628546e+01 15 3.92200354e+01 1.31017328e+01 1.43710651e+00 16 1.24919357e+01 6.59062790e+01 -6.06609552e+00 17 2.01415221e+01 4.31884849e+01 1.70622541e+01 18 3.74873847e+01 3.28973547e+01 -1.73893269e+00 19 1.03430239e+02 4.10560541e+01 -2.16836035e+01 20 -5.85751363e+01 1.04630638e+02 -6.76214808e+01 21 1.25058040e+01 3.25305090e+01 3.09073024e+01 22 -8.17487516e+01 6.61847939e+01 6.44771195e+01 23 -8.02046859e+01 7.78369192e+00 -4.71777526e+01 24 2.16250546e+01 -1.16719437e+01 -1.60791294e+01 25 -1.08986605e+02 -1.15845680e+02 3.59993696e+01 26 6.83518971e+01 4.00271759e+00 3.06423053e+01 27 -2.58396456e+01 -3.12734846e+01 -2.74283929e+01 28 -2.82047067e+01 -8.39618735e+01 -4.44135964e+01 29 4.70200942e+01 -8.45450341e+00 7.31377926e+01 30 -3.69485751e+00 -3.79906492e+01 3.20928242e+01 31 5.85963833e+00 -2.00705227e+01 3.04733651e+01 32 8.02478139e+01 7.74991129e-01 3.08502104e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==29147== Memcheck, a memory error detector ==29147== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==29147== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==29147== Command: python runner2.py Three_Body_Stillinger_Weber_Balamane_Hauch_Brittle_Si__MO_381114941873_000 ==29147== ==29147== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==29147== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==29147== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==29147== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==29147== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==29147== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==29147== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==29147== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==29147== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==29147== ==29147== HEAP SUMMARY: ==29147== in use at exit: 4,038,915 bytes in 5,780 blocks ==29147== total heap usage: 85,827 allocs, 80,047 frees, 46,170,024 bytes allocated ==29147== ==29147== LEAK SUMMARY: ==29147== definitely lost: 0 bytes in 0 blocks ==29147== indirectly lost: 0 bytes in 0 blocks ==29147== possibly lost: 162,278 bytes in 95 blocks ==29147== still reachable: 3,876,637 bytes in 5,685 blocks ==29147== suppressed: 0 bytes in 0 blocks ==29147== Rerun with --leak-check=full to see details of leaked memory ==29147== ==29147== For counts of detected and suppressed errors, rerun with: -v ==29147== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2376 from 149) ================================================================================ 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.