Jump to: Models | Files | Wiki

CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Nickel
Description This Test computes an energy vs. lattice constant curve for diamond Nickel. The curve is computed for lattice constants ranging from 0.8*a_0 to 1.5*a_0, where a_0 represents the equilibrium lattice constant. The value for a_0 is obtained by querying the KIM database for the results of LatticeConstantCubicEnergy_diamond_Ni when paired against the Model being used.
Species
The supported atomic species.
Ni
Contributor karls
Maintainer karls
Author Daniel S. Karls
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_406251948779_002
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002
Citable Link https://openkim.org/cite/TE_406251948779_002
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_002
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
LAMMPS
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python
Previous Version CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_001
CohesiveEnergyVsLatticeConstant diamond Ni TE_406251948779_002


Models

EAM_CubicNaturalSpline__MD_853402641673_002
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002 view 1906
EAM_Dynamo__MD_120291908751_005
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_005 view 2199
EAM_Dynamo_AcklandTichyVitek_1987v2_Ni__MO_769632475533_000 view 2309
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 view 1320
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 1723
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 view 2822
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 2859
EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005 view 2382
EAM_Dynamo_Foiles_1985_Ni__MO_010059867259_000 view 1283
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 view 1466
EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005 view 2456
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005 view 3775
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 3702
EAM_Dynamo_MishinFarkasMehl_1999_Ni__MO_400591584784_005 view 2602
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 3482
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 3335
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 3445
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 5095
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 3775
EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 view 1539
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 view 3665
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000 view 3775
EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 view 1429
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 view 1466
EAM_IMD__MD_113599595631_003
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 4802
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 11656
LJ__MD_414112407348_003
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 1796
Morse_Shifted__MD_552566534109_002
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_002 view 1320
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_002 view 1320
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_002 view 1320


Errors

  • No Errors associated with this Test


Download Dependency

This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_002 appear below.


CohesiveEnergyVsLatticeConstant__TD_554653289799_002.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_002.zip Zip Windows archive

Wiki

Wiki is ready to accept new content.

Login to edit Wiki content