!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Winey_Kubota_Al__MO_149316865608_004 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 70.2638169295 Forces: 1 -3.54499536e+00 -7.36802986e+00 -8.08716068e+00 2 -6.34152678e+00 7.58033610e+00 -7.44601187e+00 3 5.32858409e+00 -1.50035772e+01 -1.25048261e+01 4 -6.76988338e+00 5.74397560e+00 4.53051199e+00 5 5.71035336e+00 -1.35869050e+01 -3.66743356e+00 6 5.55418008e+00 1.15865653e+00 -5.69656751e+00 7 8.09479004e+00 -2.12859515e+01 -2.13034338e+01 8 -1.13773585e+01 -8.30825801e+00 -3.55992259e+00 9 -8.58825261e+00 -2.42261122e+00 -1.52153765e+01 10 -5.84279817e+00 1.34838941e+01 -1.90035036e+01 11 -1.79402348e+00 -1.30807596e+01 9.45429732e+00 12 -1.02013771e+01 1.88759357e+01 -8.53006006e+00 13 -4.03474622e+00 -8.87108396e+00 -3.33380249e+01 14 4.47704472e+00 4.15567526e+00 -3.91382661e+00 15 2.92820332e+01 4.63142281e+00 8.99895782e+00 16 3.74036387e+00 2.06791155e+01 2.14388212e+01 17 -1.27567070e+01 -3.94003957e+00 4.04235749e+00 18 -1.39541122e-01 1.28362396e+01 7.03643111e+00 19 2.40415549e-01 -6.36333325e+00 5.26021720e+00 20 -3.76547231e+00 3.23952195e+00 3.05885568e+00 21 -4.65548381e+00 -1.00975557e+01 9.12528928e+00 22 1.32023859e+01 1.35748870e+01 1.46389885e+01 23 3.07317829e+00 -2.34622427e+00 4.17215117e+00 24 4.67331997e-01 1.67206912e+00 7.19186750e+00 25 -5.08576253e+00 -1.36315263e+01 1.45022461e+01 26 -4.98062626e-01 1.19007015e+01 -9.09914311e+00 27 5.53953343e+00 -2.37456934e+01 8.25953954e+00 28 -1.95784288e+01 1.58829961e+01 4.05809310e+00 29 -8.04322573e+00 3.33317865e-01 3.23673308e+00 30 6.53453637e+00 7.55690637e+00 7.11191379e-02 31 1.30135454e+01 -4.81697682e+00 9.87549706e+00 32 8.75936906e+00 1.15628745e+01 1.24133167e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 153.788798983 Forces: 1 1.32821666e+01 -1.40019067e+01 7.69860744e-01 2 -1.99632928e+01 7.11224221e+00 1.37953628e+01 3 4.42572802e+00 -5.85242555e+00 -1.13103171e+01 4 8.40938820e+00 7.38741097e+00 -3.18834896e+00 5 9.08082609e+00 -8.64030151e+00 3.75579143e+00 6 -1.72195946e+01 1.95282723e+01 6.85217012e+00 7 6.70682965e-01 -1.58324235e+01 -2.23902388e+01 8 -1.18924544e+01 -9.08123583e+00 -3.61542290e+00 9 -1.55586432e+01 -1.40971755e+01 1.44749900e+01 10 -9.17963719e+00 5.33780144e+00 -1.20023898e+01 11 -1.64050233e+00 -1.21233196e+01 1.00992278e+01 12 5.96204393e+00 1.11325267e+01 -2.26147243e+00 13 -4.27248376e+00 -8.94283805e+00 -2.80657686e+01 14 -1.04073307e+01 8.03399087e-01 -8.73069477e+00 15 2.28807658e+01 4.90752268e+00 9.60507357e+00 16 5.08743007e+00 1.33524903e+01 2.10281815e+01 17 6.88286995e+00 -1.22224525e+01 5.20498013e+00 18 -4.39167357e-01 1.25948275e+01 7.56979317e+00 19 2.49490814e+00 6.61297610e+00 -2.97315242e-01 20 1.02240497e+01 1.08133940e+01 -6.16198364e+00 21 -4.77006791e+00 -1.55300040e+00 9.79880613e+00 22 -9.71444018e+00 2.53958805e+01 2.36426870e+01 23 -7.08047623e+00 -1.38918761e+01 -9.35388948e+00 24 1.34757721e+01 7.90584684e+00 -1.89371314e+01 25 1.68283215e+00 -1.52914723e+01 1.47884751e+01 26 -5.14498946e-01 2.44810834e+00 -9.88457559e+00 27 1.65208328e+01 -2.30600598e+01 -1.13636040e+01 28 -1.98065135e+01 1.63793239e+01 -9.64684772e+00 29 -7.70408443e+00 9.08465755e-01 3.52521089e+00 30 -9.38047320e-01 1.11233827e+00 1.47841721e+00 31 1.00179201e+01 -4.73570724e+00 5.12383586e+00 32 1.00030184e+01 5.59336758e+00 5.69713696e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==8387== Memcheck, a memory error detector ==8387== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==8387== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==8387== Command: python runner2.py EAM_Dynamo_Winey_Kubota_Al__MO_149316865608_004 ==8387== ==8387== ==8387== HEAP SUMMARY: ==8387== in use at exit: 4,107,219 bytes in 5,848 blocks ==8387== total heap usage: 51,490 allocs, 45,642 frees, 51,193,112 bytes allocated ==8387== ==8387== LEAK SUMMARY: ==8387== definitely lost: 0 bytes in 0 blocks ==8387== indirectly lost: 0 bytes in 0 blocks ==8387== possibly lost: 172,767 bytes in 105 blocks ==8387== still reachable: 3,934,452 bytes in 5,743 blocks ==8387== suppressed: 0 bytes in 0 blocks ==8387== Rerun with --leak-check=full to see details of leaked memory ==8387== ==8387== For counts of detected and suppressed errors, rerun with: -v ==8387== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2390 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.