!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Dynamo_Zhou_Johnson_Pb__MO_116920074573_004 Supported species : Pb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 680.018102976 Forces: 1 -1.98882170e+01 -4.50176391e+01 -3.78438609e+01 2 -1.45786248e+01 4.40917043e+00 -4.75855156e+01 3 6.59233408e+00 -5.06655960e+01 -1.60594743e+01 4 -3.72429412e+01 2.55235474e+01 2.29409430e+01 5 8.81097376e+00 -5.28594903e+01 -2.60031284e+01 6 3.13108681e+01 4.14125650e+00 -3.73199103e+01 7 3.30870261e+01 -7.34815232e+01 -4.60542396e+01 8 -2.16363671e+01 -3.43153792e+01 4.87318037e+00 9 -4.62000169e+01 1.36190401e+00 -5.37686290e+01 10 -2.41726465e+01 7.75588904e+01 -6.06164995e+01 11 -4.69007639e+01 -3.49338981e+01 3.57558731e+01 12 -3.55741120e+01 3.77088218e+01 -6.22797068e+00 13 3.73557658e+01 -1.87856119e+01 -1.09325771e+02 14 2.55372845e+01 2.56659269e+01 -2.34971603e+01 15 8.64003487e+01 3.47507463e+00 5.66087394e+00 16 2.35346886e+01 9.07315393e+01 2.92186060e+01 17 -4.72777822e+01 -2.32090049e+01 -7.68215409e-03 18 -2.90956807e+00 2.01880826e+01 1.46537341e+01 19 6.64551837e+00 -3.78284491e+01 2.87461262e+01 20 -2.54988627e+01 1.22097370e+01 2.56202393e+01 21 -2.22517919e+01 -4.44900342e+01 1.91232742e+01 22 5.94370678e+01 4.41801386e+01 4.15833461e+01 23 2.30912513e+01 -1.39079675e+01 3.02453810e+01 24 1.95320021e+00 6.13653019e+00 3.16900671e+01 25 -5.10315572e+01 -3.28594800e+01 -1.53913359e+01 26 -1.92363955e+01 8.26112379e+01 -1.62442025e+01 27 2.06671912e+01 -6.43930546e+01 6.13605958e+01 28 -6.72040435e+01 6.25411238e+01 3.35384282e+01 29 1.58792130e+01 -4.01592269e+01 1.94452139e+01 30 3.24838943e+01 3.91959692e+01 7.82484917e+00 31 4.14830261e+01 -1.72343754e+01 3.05807911e+01 32 2.73340387e+01 4.65017799e+01 5.30838575e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1421.05913091 Forces: 1 4.97314891e+01 -6.01254967e+01 8.88964826e+00 2 -4.71870645e+01 1.05275067e+01 3.00585248e+01 3 9.01567876e+00 7.88611530e+00 -1.18101462e+01 4 3.38869821e+01 4.37037136e+01 3.65027676e+01 5 1.91830200e+01 -1.03318963e+01 -4.13316563e+00 6 -5.95532434e+01 6.21748693e+01 1.22148883e+01 7 -1.16465500e+01 -4.96323320e+01 -4.42809074e+01 8 -2.90871192e+01 -3.10756511e+01 1.16637048e+01 9 -5.55562148e+01 -3.40706108e+01 2.93577051e+01 10 -3.50214919e+01 4.25525229e+01 -2.07356229e+01 11 -4.37888823e+01 -4.06874570e+01 4.61984841e+01 12 1.14653442e+01 -7.66033151e-01 -1.71369323e+01 13 3.95753062e+01 -3.03850890e+01 -7.27623359e+01 14 -1.06366945e+01 -1.52677920e-01 -1.81517089e+01 15 5.40390404e+01 1.62988557e+00 1.04292272e+01 16 2.67816867e+01 5.01947086e+01 3.61401355e+01 17 2.59140850e+01 -2.20306006e+01 5.74415682e+00 18 2.90476500e+00 2.65431785e+01 1.20210360e+01 19 1.12456534e+01 1.37885876e+01 1.03850744e+01 20 4.47954010e+01 6.21719674e+01 -2.47945998e+01 21 -2.76259580e+01 -2.66423393e+00 1.92202158e+01 22 -3.64397881e+00 8.27867633e+01 4.14722498e+01 23 -4.64288885e+01 -6.58218792e+01 -3.76047206e+01 24 3.60316463e+01 2.07065054e+01 -5.44632689e+01 25 -1.57386206e+01 -4.62866046e+01 -1.81166382e+01 26 -1.22730443e+01 2.89306579e+01 -2.52781833e+01 27 4.80419913e+01 -7.45828628e+01 -1.43061021e+01 28 -6.44614613e+01 5.71304124e+01 -6.80019112e+00 29 1.45813519e+01 -4.56298520e+01 1.68678013e+01 30 -2.09171491e+01 1.35254404e+00 2.34054671e+01 31 1.55391677e+01 -2.47920366e+01 1.26642512e+01 32 4.08337521e+01 2.69553754e+01 7.13918551e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==20750== Memcheck, a memory error detector ==20750== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==20750== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==20750== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Pb__MO_116920074573_004 ==20750== ==20750== ==20750== HEAP SUMMARY: ==20750== in use at exit: 4,104,739 bytes in 5,842 blocks ==20750== total heap usage: 54,176 allocs, 48,334 frees, 50,961,366 bytes allocated ==20750== ==20750== LEAK SUMMARY: ==20750== definitely lost: 0 bytes in 0 blocks ==20750== indirectly lost: 0 bytes in 0 blocks ==20750== possibly lost: 172,767 bytes in 105 blocks ==20750== still reachable: 3,931,972 bytes in 5,737 blocks ==20750== suppressed: 0 bytes in 0 blocks ==20750== Rerun with --leak-check=full to see details of leaked memory ==20750== ==20750== For counts of detected and suppressed errors, rerun with: -v ==20750== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2383 from 122) ================================================================================ 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.