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CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for fcc Copper
Description This Test computes an energy vs. lattice constant curve for fcc Copper. 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_fcc_Cu when paired against the Model being used.
Species
The supported atomic species.
Cu
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_311348891940_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_fcc_Cu__TE_311348891940_002
Citable Link https://openkim.org/cite/TE_311348891940_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_fcc_Cu__TE_311348891940_001
CohesiveEnergyVsLatticeConstant fcc Cu TE_311348891940_002


Models

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_Cu__MO_179025990738_005 view 3629
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 3592
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 3445
EAM_Dynamo_AdamsFoiles_1989Universal6_Cu__MO_145873824897_000 view 1869
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 4068
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 5351
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 2639
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 1943
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 1906
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 2053
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 2126
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 3519
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 3739
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 5021
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 5241
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 3812
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 4472
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 5241
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 2932
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 2089
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 2932
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 3555
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 2566
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 2199
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 2419
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 806
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_Cu__MO_151002396060_002 view 1979
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_002 view 1833
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_002 view 1869
No Driver
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_NN_Johnson_1988_Cu__MO_887933271505_002 view 1613


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

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