!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_MendelevUnderwoodAckland_2016pot3_Ti__MO_819959112190_000 Supported species : Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2892.3499043224374 Forces: 1 -1.03309470e+02 -1.21230612e+02 -9.80489021e+01 2 -2.54493399e+02 -3.78498080e+02 -6.97862452e+02 3 -2.32028939e+02 -5.09197244e+02 -1.06615498e+02 4 -5.02056003e+02 -2.14738355e+02 -1.32132001e+02 5 -2.08854534e+01 -4.47946063e+02 -3.22615247e+02 6 3.22112663e+02 -2.30807878e+02 -4.20137368e+02 7 4.90494401e+02 -7.76329757e+02 -1.56193819e+02 8 4.88815150e+02 -1.42278978e+03 -7.06897166e+02 9 -4.16121942e+02 4.43085390e+01 -4.52653781e+02 10 -2.72938300e+02 5.58386240e+02 -5.84326597e+02 11 -1.44339912e+03 6.53722099e+01 -6.67223552e+02 12 -4.22977591e+02 3.19562937e+02 -1.17428102e+02 13 3.62098306e+02 3.01884435e+02 -1.57997291e+03 14 3.20777507e+02 3.20184433e+02 -2.99621188e+02 15 1.69184610e+03 4.13596349e+02 -4.69376164e+02 16 1.49274439e+02 1.77540844e+03 -3.78854871e+02 17 -2.03334344e+02 -1.67723502e+02 2.46260792e+01 18 -6.49856083e+02 -7.00773647e+02 6.14116799e+02 19 -4.77032097e+01 -1.98769463e+02 1.86222449e+02 20 -1.56064748e+02 -2.94572475e+01 1.63784790e+02 21 3.79052427e+01 -6.58216753e+02 3.46291223e+02 22 8.92464908e+02 -3.13475185e+02 3.97779837e+02 23 1.09868345e+02 -1.25968424e+02 1.98606462e+02 24 4.99388364e+01 -2.41624172e+02 5.79824361e+02 25 -8.63896471e+02 1.60829604e+02 3.40937059e+02 26 -5.13023349e+02 1.00935188e+03 4.88173582e+02 27 -3.00013816e+02 3.87455524e+01 6.08198495e+02 28 -1.90548854e+02 1.30864122e+02 1.56555427e+02 29 4.90189997e+02 4.83562062e+02 1.53890742e+03 30 6.05802846e+02 5.40849726e+02 2.46245035e+02 31 5.30102857e+02 1.04429368e+01 6.91285123e+02 32 5.09594950e+01 3.64196701e+02 6.08405478e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2892.3499043224374 Forces: 1 -1.03309470e+02 -1.21230612e+02 -9.80489021e+01 2 -2.54493399e+02 -3.78498080e+02 -6.97862452e+02 3 -2.32028939e+02 -5.09197244e+02 -1.06615498e+02 4 -5.02056003e+02 -2.14738355e+02 -1.32132001e+02 5 -2.08854534e+01 -4.47946063e+02 -3.22615247e+02 6 3.22112663e+02 -2.30807878e+02 -4.20137368e+02 7 4.90494401e+02 -7.76329757e+02 -1.56193819e+02 8 4.88815150e+02 -1.42278978e+03 -7.06897166e+02 9 -4.16121942e+02 4.43085390e+01 -4.52653781e+02 10 -2.72938300e+02 5.58386240e+02 -5.84326597e+02 11 -1.44339912e+03 6.53722099e+01 -6.67223552e+02 12 -4.22977591e+02 3.19562937e+02 -1.17428102e+02 13 3.62098306e+02 3.01884435e+02 -1.57997291e+03 14 3.20777507e+02 3.20184433e+02 -2.99621188e+02 15 1.69184610e+03 4.13596349e+02 -4.69376164e+02 16 1.49274439e+02 1.77540844e+03 -3.78854871e+02 17 -2.03334344e+02 -1.67723502e+02 2.46260792e+01 18 -6.49856083e+02 -7.00773647e+02 6.14116799e+02 19 -4.77032097e+01 -1.98769463e+02 1.86222449e+02 20 -1.56064748e+02 -2.94572475e+01 1.63784790e+02 21 3.79052427e+01 -6.58216753e+02 3.46291223e+02 22 8.92464908e+02 -3.13475185e+02 3.97779837e+02 23 1.09868345e+02 -1.25968424e+02 1.98606462e+02 24 4.99388364e+01 -2.41624172e+02 5.79824361e+02 25 -8.63896471e+02 1.60829604e+02 3.40937059e+02 26 -5.13023349e+02 1.00935188e+03 4.88173582e+02 27 -3.00013816e+02 3.87455524e+01 6.08198495e+02 28 -1.90548854e+02 1.30864122e+02 1.56555427e+02 29 4.90189997e+02 4.83562062e+02 1.53890742e+03 30 6.05802846e+02 5.40849726e+02 2.46245035e+02 31 5.30102857e+02 1.04429368e+01 6.91285123e+02 32 5.09594950e+01 3.64196701e+02 6.08405478e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1396808== Memcheck, a memory error detector ==1396808== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1396808== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1396808== Command: python runner2.py EAM_Dynamo_MendelevUnderwoodAckland_2016pot3_Ti__MO_819959112190_000 ==1396808== ==1398753== Warning: invalid file descriptor 1024 in syscall close() ==1398753== Warning: invalid file descriptor 1025 in syscall close() ==1398753== Warning: invalid file descriptor 1026 in syscall close() ==1398753== Warning: invalid file descriptor 1027 in syscall close() ==1398753== Use --log-fd= to select an alternative log fd. ==1398753== Warning: invalid file descriptor 1028 in syscall close() ==1398753== Warning: invalid file descriptor 1029 in syscall close() ==1396808== ==1396808== HEAP SUMMARY: ==1396808== in use at exit: 2,257,559 bytes in 1,700 blocks ==1396808== total heap usage: 45,235 allocs, 43,535 frees, 71,511,211 bytes allocated ==1396808== ==1396808== LEAK SUMMARY: ==1396808== definitely lost: 0 bytes in 0 blocks ==1396808== indirectly lost: 0 bytes in 0 blocks ==1396808== possibly lost: 180,827 bytes in 103 blocks ==1396808== still reachable: 2,076,700 bytes in 1,596 blocks ==1396808== of which reachable via heuristic: ==1396808== stdstring : 38 bytes in 1 blocks ==1396808== suppressed: 32 bytes in 1 blocks ==1396808== Rerun with --leak-check=full to see details of leaked memory ==1396808== ==1396808== For lists of detected and suppressed errors, rerun with: -s ==1396808== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7903 from 583) ================================================================================ 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.