!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Cu__MO_127245782811_004 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 = 6.79533833791 Forces: 1 -2.77353066e+00 -6.21870096e+00 -6.63369274e+00 2 -8.09475752e+00 1.22987529e+01 -8.20343988e+00 3 7.40159604e-01 -8.46283901e+00 -1.43465366e+00 4 -4.02915951e+00 3.86157210e+00 3.90681061e+00 5 1.01417008e+01 -1.63242732e+01 -1.67049392e+00 6 3.00559577e+00 1.63561694e+00 -5.19027994e+00 7 3.75756653e+00 -2.17885906e+01 -2.02370013e+01 8 -7.75390804e+00 -8.89398961e+00 9.60887426e-01 9 -9.87112636e+00 -5.65707475e+00 -1.45102944e+01 10 -3.41381260e+00 1.63257264e+01 -1.58514962e+01 11 -2.29266140e+00 -1.27364758e+01 1.03559956e+01 12 -7.83204614e+00 1.34799857e+01 7.00824990e-02 13 -3.82471526e+00 -7.33097255e+00 -3.35000758e+01 14 5.31218202e+00 7.01741620e+00 -4.36108860e+00 15 2.85006958e+01 -3.91592301e+00 9.22199455e+00 16 3.69510233e+00 2.18085927e+01 1.16410544e+01 17 -8.64421377e+00 -3.50652935e+00 -3.54101512e+00 18 -2.88508748e+00 7.77058694e+00 3.17884814e+00 19 4.60967316e+00 -6.80874330e+00 5.21514203e+00 20 -2.96303228e+00 6.22626099e+00 3.98507421e+00 21 -8.10432751e+00 -8.21286004e+00 6.24425699e+00 22 1.33236725e+01 1.85744149e+01 1.61214408e+01 23 2.33362407e+00 -6.97966188e-01 4.35289561e+00 24 1.90644903e+00 8.46184823e-01 3.76948331e+00 25 -5.40123538e+00 -7.96631253e+00 9.86204607e+00 26 -5.40084940e+00 1.34101890e+01 -7.63842281e+00 27 8.49750524e+00 -2.52575319e+01 6.93373950e+00 28 -2.04997045e+01 1.70194301e+01 2.63170024e+00 29 -6.07171084e+00 -9.75553187e+00 3.18156121e+00 30 6.07000187e+00 1.02423767e+01 3.28038612e-01 31 1.14139337e+01 -7.81251833e+00 9.44120680e+00 32 6.54801628e+00 1.08297267e+01 1.13696957e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 38.6809050751 Forces: 1 1.55325115e+01 -1.34766342e+01 4.05489873e+00 2 -2.67833549e+01 8.63267516e+00 1.98676221e+01 3 2.53916290e-01 1.22554512e+00 -2.87193277e-01 4 1.05959962e+01 8.30925119e+00 -1.06666656e+00 5 1.75283763e+01 -3.56301817e+00 6.46020666e-01 6 -1.88271430e+01 2.00265848e+01 7.64376733e+00 7 -3.64295860e+00 -2.13099701e+01 -2.06930722e+01 8 -7.52083455e+00 -9.25794766e+00 5.96287436e-01 9 -1.78532236e+01 -1.60181582e+01 1.01024858e+01 10 -1.08362150e+01 4.40806549e+00 -8.51107916e+00 11 -2.91276607e+00 -1.22787095e+01 1.01190237e+01 12 3.18923174e+00 7.31485049e+00 4.91916048e+00 13 -2.99451888e+00 -8.32758857e+00 -2.83947984e+01 14 -8.01709716e+00 4.98964193e+00 -9.09977387e+00 15 2.31367856e+01 -3.74944397e+00 8.74927065e+00 16 5.26357494e+00 1.69220064e+01 1.20249642e+01 17 1.04166632e+01 -1.06851354e+01 -3.98350650e+00 18 -3.22424296e+00 7.03241977e+00 3.48004253e+00 19 4.41503432e+00 3.43495259e+00 3.89734256e+00 20 1.32918978e+01 2.02019412e+01 -6.25939626e+00 21 -8.47962113e+00 -2.37770313e+00 6.54250105e+00 22 -4.26526079e+00 2.80831315e+01 1.96186059e+01 23 -1.52555570e+01 -1.98152952e+01 -8.98927382e+00 24 2.15230223e+01 6.78337091e+00 -2.42102314e+01 25 -4.16930271e-01 -9.51384758e+00 9.80600362e+00 26 -4.52052890e+00 3.54341389e+00 -9.43986723e+00 27 1.83546435e+01 -2.56623924e+01 -1.12317363e+01 28 -2.18853655e+01 1.95500040e+01 -7.16919278e+00 29 -5.59946125e+00 -9.10071180e+00 3.70817196e+00 30 -3.83600681e-01 4.13319571e+00 2.62541929e+00 31 9.83724376e+00 -8.41855777e+00 7.57376614e+00 32 1.00797829e+01 8.96406348e+00 3.36043359e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==26739== Memcheck, a memory error detector ==26739== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==26739== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==26739== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Cu__MO_127245782811_004 ==26739== ==26739== ==26739== HEAP SUMMARY: ==26739== in use at exit: 4,105,603 bytes in 5,844 blocks ==26739== total heap usage: 52,751 allocs, 46,907 frees, 50,173,767 bytes allocated ==26739== ==26739== LEAK SUMMARY: ==26739== definitely lost: 0 bytes in 0 blocks ==26739== indirectly lost: 0 bytes in 0 blocks ==26739== possibly lost: 172,767 bytes in 105 blocks ==26739== still reachable: 3,932,836 bytes in 5,739 blocks ==26739== suppressed: 0 bytes in 0 blocks ==26739== Rerun with --leak-check=full to see details of leaked memory ==26739== ==26739== For counts of detected and suppressed errors, rerun with: -v ==26739== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2374 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.