!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Co__MO_924630542818_004 Supported species : Co random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.80341387568 Forces: 1 -7.71647890e+00 -6.43712549e+00 -1.00887898e+01 2 -9.59215823e+00 1.77829630e+01 -9.22142574e+00 3 3.99501804e-01 -1.04882021e+01 9.14388235e+00 4 -8.36732288e+00 6.06005361e+00 4.63553302e+00 5 1.62757366e+01 -1.88617675e+01 -4.98273032e+00 6 5.09727877e+00 7.04496764e-01 -6.93573256e+00 7 3.72431349e+00 -2.73930522e+01 -2.76450654e+01 8 -1.08636966e+01 -1.21214569e+01 3.07435338e+00 9 -5.80468320e+00 -8.95975670e+00 -1.36235439e+01 10 -4.74352230e+00 1.38515035e+01 -1.68981919e+01 11 -5.70356748e+00 -7.98603563e+00 2.95677930e+00 12 -7.85886047e+00 1.01720259e+01 7.81580999e+00 13 -1.05122351e+01 -8.45288854e+00 -4.13434176e+01 14 5.90941942e+00 8.10531664e+00 -4.93081636e+00 15 3.57075792e+01 -5.80675874e+00 1.14220693e+01 16 5.43584207e+00 2.79883655e+01 1.35077900e+01 17 -7.17400871e+00 -4.04334695e+00 -6.31476103e+00 18 2.64447125e-01 3.05363897e+00 7.50344783e+00 19 6.56352153e+00 -5.12996000e+00 5.34064441e+00 20 -2.78353726e+00 6.71271924e+00 4.32691981e+00 21 -1.23118665e+01 -9.42311248e+00 5.63974263e+00 22 1.64236823e+01 2.42674314e+01 2.01837629e+01 23 7.53912101e+00 -4.31292030e+00 6.48677854e+00 24 -6.48324800e+00 2.74609340e+00 3.11556622e+00 25 -1.17123479e+01 -7.76383426e+00 -3.96146727e+00 26 -5.34599694e+00 1.77686987e+01 -9.09288114e+00 27 1.61575121e+01 -3.33883799e+01 1.24777980e+01 28 -2.64604534e+01 2.45275488e+01 5.99029094e+00 29 -6.04983731e+00 -1.20085878e+01 5.64157630e+00 30 6.77598909e+00 1.19555741e+01 3.62020497e+00 31 1.49633604e+01 -5.68438079e+00 9.11134537e+00 32 8.24651614e+00 1.25651368e+01 1.30445278e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 25.136735628 Forces: 1 4.58458611e+00 -9.44362213e+00 -1.09946985e+00 2 -1.77202471e+01 1.82540617e+01 2.57931835e+00 3 -5.62570841e-01 3.74545529e+00 1.54147601e+01 4 -1.30236562e+00 8.12858931e+00 1.15910256e+00 5 2.47759624e+01 -5.79828788e+00 -2.26494448e+00 6 4.04388370e-01 1.76449601e+01 1.89505964e+01 7 -1.97774797e+00 -2.45981462e+01 -2.96422961e+01 8 -1.06524283e+01 -1.22980298e+01 3.03250873e+00 9 -1.70945622e+01 -2.27909955e+01 1.68514780e+01 10 -1.22779695e+01 -3.82117237e+00 -1.19913756e+01 11 -5.91770853e+00 -7.82660995e+00 2.75816559e+00 12 7.68690502e+00 2.53014401e+00 1.71103410e+01 13 -9.89169623e+00 -1.00611886e+01 -3.57231438e+01 14 -1.30006678e+01 7.26138317e+00 -1.40308872e+01 15 3.22970833e+01 -7.40210184e+00 1.15724181e+01 16 7.35029980e+00 2.29974450e+01 1.45853304e+01 17 1.43897277e+01 -1.52061948e+01 -5.24160015e+00 18 1.71539688e-01 2.84061203e+00 7.66691672e+00 19 6.44173410e+00 6.38187885e+00 4.77418982e+00 20 1.64466485e+01 2.30406549e+01 -5.15045577e+00 21 -1.28066551e+01 -3.63867865e+00 6.33385189e+00 22 -1.76579336e+00 3.83996076e+01 1.87256029e+01 23 -1.20414335e+01 -2.83202663e+01 -9.15124153e+00 24 -5.49825392e+00 7.56984158e+00 -1.70514806e+01 25 -6.52573562e+00 -1.02951339e+01 -3.64674563e+00 26 -4.83341576e+00 8.49031433e+00 -1.37817483e+01 27 2.95116918e+01 -3.46498155e+01 -9.79226297e+00 28 -3.02024630e+01 2.99564102e+01 -6.58717331e+00 29 -5.83694756e+00 -1.18114432e+01 5.82517793e+00 30 -1.42837301e-01 6.18518758e+00 6.13854295e+00 31 1.32580504e+01 -6.26926931e+00 7.70518835e+00 32 1.27328821e+01 1.08044102e+01 3.97133547e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==23195== Memcheck, a memory error detector ==23195== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==23195== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==23195== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Co__MO_924630542818_004 ==23195== ==23195== ==23195== HEAP SUMMARY: ==23195== in use at exit: 4,105,603 bytes in 5,844 blocks ==23195== total heap usage: 52,649 allocs, 46,805 frees, 50,161,231 bytes allocated ==23195== ==23195== LEAK SUMMARY: ==23195== definitely lost: 0 bytes in 0 blocks ==23195== indirectly lost: 0 bytes in 0 blocks ==23195== possibly lost: 172,767 bytes in 105 blocks ==23195== still reachable: 3,932,836 bytes in 5,739 blocks ==23195== suppressed: 0 bytes in 0 blocks ==23195== Rerun with --leak-check=full to see details of leaked memory ==23195== ==23195== For counts of detected and suppressed errors, rerun with: -v ==23195== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2389 from 125) ================================================================================ 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.