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CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_001

Title
A single sentence description.
 Cohesive energy versus lattice constant curve for bcc Copper
Description This Test computes an energy vs. lattice constant curve for bcc 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_bcc_Cu when paired
against the Model being used.
Species
The supported atomic species.
Cu
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2014
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_864632638496_001
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_bcc_Cu__TE_864632638496_001
Citable Link https://openkim.org/cite/TE_864632638496_001
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_001
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
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_bcc_Cu__TE_864632638496_000


Models

EAM_Dynamo__MD_120291908751_004
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_Ackland_Tichy_Cu__MO_179025990738_004 view 2225
EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_004 view 3158
EAM_Dynamo_Cai_Ye_AlCu__MO_942551040047_004 view 1974
EAM_Dynamo_Foiles_Baskes_Universal3_Cu__MO_666348409573_003 view 1292
EAM_Dynamo_Hoyt_Garvin_PbCu__MO_119135752160_004 view 1436
EAM_Dynamo_Mendelev_King_Cu__MO_748636486270_004 view 2728
EAM_Dynamo_Mendelev_Kramer_Cu__MO_945691923444_004 view 3051
EAM_Dynamo_Mendelev_Kramer_CuZr__MO_600021860456_004 view 4091
EAM_Dynamo_Mendelev_Sordelet_CuZr__MO_120596890176_004 view 4737
EAM_Dynamo_Mishin_Mehl_Cu__MO_346334655118_004 view 3122
EAM_Dynamo_Onat_Durukanoglu_CuNi__MO_592013496703_004 view 3876
EAM_Dynamo_Williams_Mishin_CuAg__MO_128703483589_004 view 4414
EAM_Dynamo_Wu_Trinkle_CuAg__MO_270337113239_004 view 2584
EAM_Dynamo_Zhou_Johnson_Cu__MO_127245782811_004 view 1794
EMT_Asap__MD_128315414717_002
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
EMT_Asap_MetalGlass_CuMgZr__MO_655725647552_002 view 4684
EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002 view 4339
LennardJones612__MD_414112407348_002
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 1113
Pair_Morse_Shifted__MD_552566534109_001
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Cu__MO_151002396060_001 view 4374
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Cu__MO_673777079812_001 view 3926
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Cu__MO_173787283511_001 view 4512
No Driver
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_Johnson_NearestNeighbor_Cu__MO_887933271505_001 view 1859


Errors

  • No Errors associated with this Test


Files

LICENSE.CDDL
Makefile
README.txt
dependencies.edn
descriptor.kim
kimprovenance.edn
kimspec.edn
pipeline.stdin.tpl
runner

Download

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CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_001.zip Zip Windows archive

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This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_001 appear below.


CohesiveEnergyVsLatticeConstant__TD_554653289799_001.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_001.zip Zip Windows archive

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