Model Extended KIM ID = === Verification check vc-memory-leak start (2017-12-16 10:01:57) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ni__MO_322509103239_001 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 71.9660168836 Forces: 1 -1.08068462e+01 -9.15598550e+00 -1.34536915e+01 2 -1.53786554e+00 1.29785738e+01 -1.75402205e+01 3 2.06622731e+00 -1.41491414e+01 1.41401171e+01 4 -1.27687613e+01 9.55424750e+00 4.61042858e+00 5 1.93034144e+01 -1.63843759e+01 -1.28901538e+01 6 3.39344092e+00 -3.01818252e+00 -5.91052346e+00 7 1.00285334e+01 -3.55113224e+01 -3.12180964e+01 8 -1.59179945e+01 7.23840456e+00 7.28453318e-01 9 -1.59731680e+01 -9.02515632e+00 -2.30065494e+01 10 -5.91034009e+00 2.50927532e+01 -1.67063911e+01 11 3.69867439e+00 -8.98894696e+00 1.24971821e+01 12 -9.01907317e+00 1.17433159e+01 6.18828071e+00 13 8.65487611e+00 -1.35323562e+01 -1.95737009e+01 14 4.54742590e+00 4.57070478e+00 -2.33339747e+00 15 1.75021515e+01 3.09071196e+00 2.06415317e+00 16 1.52624139e+01 2.21651294e+01 -1.17586213e+00 17 -1.59928066e+01 -9.27815232e+00 2.24340075e+00 18 8.57438336e+00 1.30879539e+01 -6.53424379e+00 19 2.03693817e+00 -1.55076437e+01 1.25057121e+01 20 -7.63808819e+00 4.56903358e+00 5.37698630e+00 21 -1.03417872e+01 -1.29405634e+01 4.84158012e+00 22 2.07394427e+01 2.54803458e+01 2.41814124e+01 23 6.72794297e+00 -4.29185704e+00 5.09277209e+00 24 -3.11336370e+00 5.69116529e+00 7.28667982e+00 25 -1.57244884e+01 -4.85169075e+00 6.34639354e+00 26 -1.34961383e+01 2.20364989e+01 6.80432608e+00 27 6.79737057e+00 -1.55518531e+01 8.59881703e+00 28 -1.20333568e+01 1.16517216e+01 2.03752763e+00 29 -5.31880461e-01 -2.18874862e+01 5.66652167e+00 30 9.32172948e+00 1.17008731e+01 -4.15706294e+00 31 9.89244656e+00 -8.50768399e+00 1.04347659e+01 32 2.25854668e+00 1.19309644e+01 1.28543829e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 32.8896987254 Forces: 1 4.76524804e+00 -1.31574097e+01 2.62654838e+00 2 -5.73774351e+00 1.22954936e+01 -1.01431569e+01 3 -6.77967877e-01 -2.37746653e+00 1.34692183e+01 4 2.11010806e+00 1.01453846e+01 1.86708239e-01 5 3.20408628e+01 1.57934353e+01 -5.43684817e+00 6 -9.50849915e+00 9.21328802e+00 1.03548016e+01 7 6.90806284e-02 -3.37243930e+01 -3.32767844e+01 8 -1.46867027e+01 5.76336667e+00 -2.45074800e-01 9 -2.24781263e+01 -1.32508605e+01 1.00642496e+01 10 -2.55186518e+01 -3.90245646e+00 -4.02015706e+00 11 2.52737605e+00 -7.90826714e+00 1.13181100e+01 12 4.53314295e+00 3.18001054e+00 1.67378424e+01 13 1.07683532e+01 -1.78450122e+01 -5.52407439e+00 14 -1.51971969e+01 2.70514561e-01 -8.47059531e+00 15 1.26283700e+01 3.57992131e+00 1.17344169e+00 16 1.77497870e+01 1.39044625e+01 4.59230117e-01 17 5.61356311e+00 -1.66319628e+01 4.30368676e+00 18 7.64984902e+00 1.17283641e+01 -4.97781107e+00 19 1.88718789e+00 -5.72485806e+00 8.46854042e+00 20 1.72952498e+01 2.15333253e+01 -9.31745614e+00 21 -8.74727085e+00 -3.42391770e+00 6.13929794e+00 22 -5.09006195e-01 3.48893334e+01 2.74450289e+01 23 -1.50571442e+01 -1.61706839e+01 -4.44964367e+00 24 -3.04417695e+00 4.86138659e+00 -6.75292119e+00 25 -1.37008638e+01 -3.93275182e+00 6.64997835e+00 26 -1.42082810e+01 1.18449842e+01 6.68221135e+00 27 1.40862205e+01 -2.07313227e+01 -1.81554603e+01 28 -9.25801376e+00 1.13549975e+01 -7.81253001e+00 29 5.36489035e-01 -2.06531275e+01 6.71288349e+00 30 3.59575345e+00 2.71680536e+00 -6.52405325e+00 31 8.58138748e+00 -4.86155127e+00 4.11929275e+00 32 1.18916161e+01 1.12209678e+01 -1.18045037e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==19850== Memcheck, a memory error detector ==19850== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==19850== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==19850== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ni__MO_322509103239_001 ==19850== ==19850== Warning: set address range perms: large range [0x21029000, 0x31529000) (defined) ==19850== Warning: set address range perms: large range [0x2126d000, 0x31529000) (defined) ==19850== Warning: set address range perms: large range [0x21029000, 0x31529000) (noaccess) ==19850== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==19850== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==19850== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==19850== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==19850== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==19850== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==19850== ==19850== HEAP SUMMARY: ==19850== in use at exit: 4,045,482 bytes in 5,784 blocks ==19850== total heap usage: 58,204 allocs, 52,420 frees, 44,451,507 bytes allocated ==19850== ==19850== LEAK SUMMARY: ==19850== definitely lost: 0 bytes in 0 blocks ==19850== indirectly lost: 0 bytes in 0 blocks ==19850== possibly lost: 162,838 bytes in 96 blocks ==19850== still reachable: 3,882,644 bytes in 5,688 blocks ==19850== suppressed: 0 bytes in 0 blocks ==19850== Rerun with --leak-check=full to see details of leaked memory ==19850== ==19850== For counts of detected and suppressed errors, rerun with: -v ==19850== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2392 from 159) ================================================================================ 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 10:03:05) ===