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CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_001

Title
A single sentence description.
Cohesive energy versus lattice constant curve for fcc Aluminum
Description This Test computes an energy vs. lattice constant curve for fcc Aluminum. 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_Al when paired
against the Model being used.
Species
The supported atomic species.
Al
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_380539271142_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_fcc_Al__TE_380539271142_001
Citable Link https://openkim.org/cite/TE_380539271142_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_fcc_Al__TE_380539271142_000


EAM_CubicNaturalSpline__MD_853402641673_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)
EAM_CubicNaturalSpline_Ercolessi_Adams_Al__MO_800509458712_001 view 718
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_Angelo_Moody_NiAlH__MO_418978237058_004 view 1436
EAM_Dynamo_Cai_Ye_AlCu__MO_942551040047_004 view 2082
EAM_Dynamo_Ercolessi_Adams_Al__MO_123629422045_004 view 1292
EAM_Dynamo_Landa_Wynblatt_AlPb__MO_699137396381_004 view 1723
EAM_Dynamo_Mendelev_Asta_AlMg__MO_658278549784_004 view 5419
EAM_Dynamo_Mendelev_Kramer_Al__MO_106969701023_004 view 2799
EAM_Dynamo_Mendelev_Srolovitz_AlFe__MO_577453891941_004 view 4594
EAM_Dynamo_Mishin_Farkas_Al__MO_651801486679_004 view 3589
EAM_Dynamo_Mishin_Mehl_NiAl__MO_109933561507_004 view 4378
EAM_Dynamo_Mishin_NiAl__MO_101214310689_004 view 4163
EAM_Dynamo_PurjaPun_Mishin_NiAl__MO_751354403791_004 view 4020
EAM_Dynamo_Sturgeon_Laird_Al__MO_120808805541_004 view 2943
EAM_Dynamo_Vailhe_Farkas_CoAl__MO_284963179498_004 view 2082
EAM_Dynamo_Winey_Kubota_Al__MO_149316865608_004 view 2189
EAM_Dynamo_Zhou_Johnson_Al__MO_131650261510_004 view 1866
EAM_Dynamo_Zope_Mishin_Al__MO_664470114311_004 view 3015
EAM_Dynamo_Zope_Mishin_TiAl__MO_117656786760_004 view 4235
EAM_QuinticClampedSpline__MD_532469991695_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_QuinticClampedSpline_Ercolessi_Adams_Al__MO_450093727396_001 view 1292
EAM_QuinticHermiteSpline__MD_029719603993_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_QuinticHermiteSpline_Ercolessi_Adams_Al__MO_781138671863_001 view 1292
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_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002 view 4408
IMD_EAM__MD_113599595631_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)
IMD_EAM_Schopf_AlMnPd__MO_878712978062_002 view 81839
IMD_EAM_Schopf_AlNiCo_A__MO_122703700223_002 view 107372
IMD_EAM_Schopf_AlNiCo_B__MO_128037485276_002 view 19183
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 1005
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_Al__MO_140175748626_001 view 4408
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Al__MO_411898953661_001 view 24817
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Al__MO_279544746097_001 view 4718


  • No Errors associated with this Test




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