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CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_003

Title
A single sentence description.
 Cohesive energy versus lattice constant curve for diamond C v003
Description This Test computes an energy vs. lattice constant curve for diamond C. 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_C when paired against the Model being used.
Species
The supported atomic species.
C
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 2019
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_609752483801_003
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_C__TE_609752483801_003
Citable Link https://openkim.org/cite/TE_609752483801_003
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_003
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_C__TE_609752483801_002


Models

EAM_Dynamo__MD_120291908751_005
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_HepburnAckland_2008_FeC__MO_143977152728_005 view 9277
EDIP_LAMMPS__MD_783584031339_000
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)
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000 view 2721
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 view 2534
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000 view 5926
LJ__MD_414112407348_003
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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 1312
MEAM_LAMMPS__MD_249792265679_000
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)
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_000 view 4454
MEAM_LAMMPS__MD_249792265679_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)
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001 view 4008
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001 view 22438
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_001 view 3282
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_001 view 3183
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001 view 4584
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001 view 9389
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001 view 13477
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_001 view 3491
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001 view 7211
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_000 view 3653
MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_001 view 2785
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 view 2467
Tersoff_LAMMPS__MD_077075034781_005
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)
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004 view 2497
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005 view 2348
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000 view 2208
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 view 3578
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 3019
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 2447
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004 view 2049
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004 view 2009
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000 view 2118
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 view 3578
hNN__MD_435082866799_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)
hNN_WenTadmor_2019Grx_C__MO_421038499185_001 view 5496
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)
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000 view 2623
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 view 4159
Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000 view 2879
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 view 2335
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 view 20459
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 view 21290
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 view 20715
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 view 2199


Errors

No Driver
Model Error Categories Link to Error page
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 other view


Files

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

Download

CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_003.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_003.zip Zip Windows archive

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This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_003 appear below.


CohesiveEnergyVsLatticeConstant__TD_554653289799_003.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_003.zip Zip Windows archive

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