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CohesiveEnergyVsLatticeConstant_diamond_V__TE_054137530884_003

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond V v003
Description This Test computes an energy vs. lattice constant curve for diamond V. 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_V when paired against the Model being used.
Species
The supported atomic species.
V
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_054137530884_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_V__TE_054137530884_003
Citable Link https://openkim.org/cite/TE_054137530884_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_V__TE_054137530884_002


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_HanZepedaAckland_2003_V__MO_411020944797_000 view 3263
EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005 view 4255
EAM_Dynamo_Olsson_2009_V__MO_944449444863_000 view 7141
EAM_MagneticCubic__MD_620624592962_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)
EAM_MagneticCubic_DerletNguyenDudarev_2007_V__MO_683890323730_002 view 2207
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 2879
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_KimSeolJi_2017_PtV__MO_912978207512_001 view 7280
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_001 view 10543
MEAM_LAMMPS_LeeBaskesKim_2001_V__MO_868364924829_000 view 3978
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 view 13527
MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_001 view 8613
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001 view 12333
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_001 view 8981
MEAM_LAMMPS_ShimLeeFleury_2011_VH__MO_072444764353_001 view 5391
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_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 5982
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 view 2653


  • No Errors associated with this Test




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