Model Extended KIM ID =
=== Verification check vc-memory-leak start (2018-05-10 22:18:44) ===
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!!!!! VERIFICATION CHECK: vc-memory-leak !!!!!
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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_Ti__MO_723456820410_004
Supported species : Ti
random seed = 13
lattice constant (orig) = 3.000
perturbation amplitude = 0.300
number unit cells per side = 2
-----------------------------------------------------------------------------------------------------
* Error: at line 626 in EAM_Implementation.hpp
Message: Particle has density value outside of embedding function interpolation domain
KIM_STATUS_MSG: unsuccessful completion
MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 128.306960971
Forces:
1 -1.70504787e+01 -1.40303638e+01 -1.55586031e+01
2 -5.09750238e+00 9.56811644e+00 -2.56500088e+01
3 1.63583887e+01 -3.11327131e+01 7.26223423e+00
4 -3.37838094e+01 1.07224909e+01 -7.91453968e+00
5 5.42395306e+00 -2.17725635e+01 -1.68098046e+01
6 1.78928045e+01 7.05679989e+00 -2.65243141e+01
7 1.86702623e+01 -3.24818383e+01 2.48700083e+00
8 -1.33706004e+01 -6.78408094e+00 5.39669695e+00
9 -1.54456317e+01 -5.45823566e+00 -2.17883709e+01
10 -1.10734663e+01 2.02103390e+01 -2.71757328e+01
11 -1.05272761e+01 2.94271604e+00 -6.00333374e+00
12 -1.83487897e+01 2.11304197e+01 4.68635897e+00
13 9.60319680e+00 -3.96345456e-02 -2.61799622e+01
14 1.52807288e+01 1.10674725e+01 -1.31339221e+01
15 2.78139553e+01 1.15881141e+01 -3.46814367e+00
16 1.02329979e+01 2.65443604e+01 1.20567690e+01
17 -1.71978282e+01 -2.70273433e+01 4.53668940e+00
18 1.28119149e+01 -1.01057888e+01 1.30741729e+01
19 -5.33082459e+00 -1.58689986e+01 1.88109399e+01
20 -1.65633967e+01 3.94311125e+00 2.35622425e+01
21 -8.34011754e+00 -2.55524049e+01 -2.30101355e+01
22 2.76506601e+01 5.86500966e+00 -4.57734913e+00
23 2.50795230e+01 -2.57440926e+01 2.76244028e+01
24 -1.79117976e+01 1.29500500e+01 2.60489252e+01
25 -2.97458906e+01 4.36068716e+00 -2.08462768e+00
26 7.62091057e+00 2.81326621e+01 -7.10048156e+00
27 6.31350782e+00 -1.11803434e+01 3.02216109e+01
28 -1.66270687e+01 1.41771143e+01 1.64995617e+01
29 9.99606857e-01 -2.87567160e+00 3.69124378e+00
30 2.09823766e+01 1.95232739e+01 -9.58573717e+00
31 1.98199396e+01 4.91759508e+00 2.02136575e+01
32 -6.14024831e+00 1.53537407e+01 2.03925599e+01
* Error: at line 626 in EAM_Implementation.hpp
Message: Particle has density value outside of embedding function interpolation domain
KIM_STATUS_MSG: unsuccessful completion
================================================================================
VALGRIND OUTPUT
================================================================================
==18338== Memcheck, a memory error detector
==18338== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al.
==18338== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info
==18338== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Ti__MO_723456820410_004
==18338==
* Error: at line 626 in EAM_Implementation.hpp
Message: Particle has density value outside of embedding function interpolation domain
KIM_STATUS_MSG: unsuccessful completion
* Error: at line 626 in EAM_Implementation.hpp
Message: Particle has density value outside of embedding function interpolation domain
KIM_STATUS_MSG: unsuccessful completion
==18338==
==18338== HEAP SUMMARY:
==18338== in use at exit: 4,103,731 bytes in 5,840 blocks
==18338== total heap usage: 55,604 allocs, 49,764 frees, 50,496,565 bytes allocated
==18338==
==18338== LEAK SUMMARY:
==18338== definitely lost: 0 bytes in 0 blocks
==18338== indirectly lost: 0 bytes in 0 blocks
==18338== possibly lost: 172,767 bytes in 105 blocks
==18338== still reachable: 3,930,964 bytes in 5,735 blocks
==18338== suppressed: 0 bytes in 0 blocks
==18338== Rerun with --leak-check=full to see details of leaked memory
==18338==
==18338== For counts of detected and suppressed errors, rerun with: -v
==18338== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2378 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.
=== Verification check vc-memory-leak end (2018-05-10 22:19:01) ===