!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Johnson_NearestNeighbor_Cu__MO_887933271505_001 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -18.9631761985 Forces: 1 -6.42156113e+00 -6.01860032e+00 -8.56180663e+00 2 1.80501254e+00 3.35466068e+00 -1.03345257e+01 3 3.53335733e+00 -8.87213193e+00 6.47679056e+00 4 -9.09449215e+00 4.63986308e+00 4.01742166e+00 5 3.83514251e-01 -6.20556913e+00 -6.72568824e+00 6 3.52772696e+00 5.50536756e+00 -7.20825960e+00 7 4.05463502e+00 -1.01119602e+01 2.90051604e+00 8 1.09461707e-01 -2.71897493e+01 -9.69536644e+00 9 -6.93887452e+00 -1.17497703e+01 -1.78894042e+01 10 1.01992991e+00 9.63101064e+00 -9.51460888e+00 11 -1.06426932e+00 1.47343366e+00 7.30329855e+00 12 -6.44569065e+00 1.16129315e+01 1.27683819e+01 13 -2.68606842e+00 -1.97921562e+00 -2.14010987e+01 14 1.04256269e+00 2.38400289e+00 -2.30618822e+00 15 2.29854001e+01 2.67550039e+00 3.98454620e+00 16 5.81684929e-01 1.41394075e+01 6.88927162e+00 17 -1.02651507e+01 -6.89071963e+00 -1.42044195e+00 18 3.30460994e+00 7.53544670e+00 -1.07404613e+01 19 5.55949979e+00 -1.99600119e+01 9.05296400e+00 20 -1.15675577e+01 9.87714793e+00 8.02292153e+00 21 -2.40806265e+00 -5.41000792e+00 -4.29319698e+00 22 7.12859813e+00 4.74245120e+00 6.11849624e+00 23 3.80502168e+00 -1.07592821e+00 4.55161710e+00 24 5.29542949e+00 4.76479990e+00 8.13603913e+00 25 -8.36373812e+00 -1.94375331e+00 -4.64204224e+00 26 -4.04791508e+00 1.85895891e+01 -1.92950949e+01 27 2.68764702e+00 -2.16901087e+01 1.77426693e+01 28 -1.36284421e+01 9.55038476e+00 3.48518807e+00 29 -4.48242988e+00 1.00983107e+01 1.71747763e+01 30 2.43750879e+00 6.32836544e+00 -7.77655616e-01 31 5.12215445e+00 -5.16631581e+00 4.87316748e+00 32 1.30304977e+01 7.36116883e+00 1.13077739e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -1.55168472566 Forces: 1 9.02343349e+00 -1.40235882e+01 -1.67835909e+00 2 1.00933905e+00 3.65506919e+00 -4.37910838e+00 3 1.88229128e+00 -8.31497660e-02 1.06847962e+01 4 -8.46967061e-01 6.71851737e+00 2.39836592e+00 5 3.20081268e+00 1.99240555e+00 -6.50074562e+00 6 -1.16088742e+01 1.80953230e+01 -2.70157110e+00 7 -9.70399786e-01 -8.31319173e+00 4.32531178e+00 8 6.63014016e-01 -2.70744522e+01 -9.88444708e+00 9 -4.96303816e+00 -1.85471782e+01 -5.87489066e+00 10 -2.91020866e+00 6.01031974e-01 -8.46629666e+00 11 -1.46594148e+00 1.78168392e+00 6.47300343e+00 12 4.70984793e+00 1.02322603e+01 1.73443569e+01 13 -2.51389163e+00 -2.70784597e+00 -1.77576688e+01 14 -1.15644444e+01 3.37531196e-01 -2.45214821e+00 15 1.60412880e+01 -9.22576611e-01 4.82296047e+00 16 8.26918414e-01 8.14402104e+00 8.07503561e+00 17 8.51897179e+00 -1.91270698e+01 2.49015509e-01 18 3.02198981e+00 7.08352795e+00 -1.03550015e+01 19 4.49631398e+00 -1.38109861e+01 9.40880812e+00 20 -6.62787757e+00 1.46026929e+01 -1.90103063e-01 21 -1.87073607e+00 -1.59826678e-01 -4.68699185e+00 22 -1.33462512e+01 1.75736102e+01 7.70090438e+00 23 -9.37469441e-01 -1.94534719e+00 -4.64051510e+00 24 6.51267440e+00 4.77699199e+00 3.68426314e+00 25 -5.36838128e+00 -2.29980596e+00 -4.73291552e+00 26 -4.97039369e+00 1.10514719e+01 -2.06478600e+01 27 5.69079060e+00 -2.22407094e+01 9.78766183e+00 28 -4.97332860e+00 1.19829739e+01 -4.44941249e+00 29 -4.57292200e+00 1.04628937e+01 1.72919893e+01 30 -1.94984405e+00 3.37152255e+00 -3.56733746e+00 31 3.32298279e+00 -6.29827107e+00 3.57507076e+00 32 1.25403010e+01 5.09047014e+00 7.14382916e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==24043== Memcheck, a memory error detector ==24043== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==24043== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==24043== Command: python runner2.py EAM_Johnson_NearestNeighbor_Cu__MO_887933271505_001 ==24043== ==24043== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==24043== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==24043== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==24043== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==24043== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==24043== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==24043== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==24043== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==24043== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==24043== ==24043== HEAP SUMMARY: ==24043== in use at exit: 4,037,929 bytes in 5,778 blocks ==24043== total heap usage: 80,142 allocs, 74,364 frees, 45,494,914 bytes allocated ==24043== ==24043== LEAK SUMMARY: ==24043== definitely lost: 0 bytes in 0 blocks ==24043== indirectly lost: 0 bytes in 0 blocks ==24043== possibly lost: 162,278 bytes in 95 blocks ==24043== still reachable: 3,875,651 bytes in 5,683 blocks ==24043== suppressed: 0 bytes in 0 blocks ==24043== Rerun with --leak-check=full to see details of leaked memory ==24043== ==24043== For counts of detected and suppressed errors, rerun with: -v ==24043== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2391 from 155) ================================================================================ 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.