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ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_002

Title
A single sentence description.
ASE cohesive energy test example
Description Tutorial test using the Atomic Simulation Environment which calculates the cohesive energy of FCC argon
Species
The supported atomic species.
Ar
Contributor mattbierbaum
Maintainer mattbierbaum
Author Matt Bierbaum
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_102111117114_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.
ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_002
Citable Link https://openkim.org/cite/TE_102111117114_002
KIM Item TypeTest
Properties
Properties as defined in kimspec.edn.
KIM API Version1.9.0
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 ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_001
ASECohesiveEnergyFromQueryExample fcc Ar TE_102111117114_002


Models

LennardJones612__MD_414112407348_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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 359
Pair_LJ_Smooth__MD_716364606252_000
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)
Pair_LJ_Smooth_Bernardes_Ar__MO_764178710049_000 view 395
Pair_Lennard_Jones_Shifted__MD_498634107543_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)
Pair_Lennard_Jones_Shifted_Bernardes_HighCutoff_Ar__MO_242741380554_002 view 467
Pair_Lennard_Jones_Shifted_Bernardes_LowCutoff_Ar__MO_720819638419_002 view 359
Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Ar__MO_126566794224_002 view 395
Pair_Lennard_Jones_Truncated__MD_132729421025_000
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)
Pair_Lennard_Jones_Truncated_Nguyen_Ar__MO_398194508715_000 view 287
Pair_Morse_Shifted__MD_552566534109_001
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)
Pair_Morse_Shifted_Jelinek_Ar__MO_831902330215_001 view 395
Pair_Morse_Sigmoid__MD_199191711608_000
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)
Pair_Morse_Sigmoid_Jelinek_Ar__MO_071460865933_000 view 323
Pair_Morse_Smoothed__MD_093895395358_001
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)
Pair_Morse_Smoothed90_Jelinek_Ar__MO_908645784389_000 view 323


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