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LammpsExample2_fcc_Ar__TE_778998786610_002

Title
A single sentence description.
LammpsExample2_fcc_Ar: energy-volume curve of fcc Argon
Description This example Test illustrates the use of LAMMPS in the openkim-pipeline to compute an energy vs.
lattice constant curve for fcc Argon. The curve is computed for lattice constants
ranging from Angstroms to Angstroms, with most lattice spacings sampled about
Angstroms.
Species
The supported atomic species.
Ar
Contributor karls
Maintainer karls
Author Daniel Karls
Publication Year 2014
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_778998786610_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.
LammpsExample2_fcc_Ar__TE_778998786610_002
Citable Link https://openkim.org/cite/TE_778998786610_002
KIM Item TypeTest
DriverLammpsExample2__TD_887699523131_002
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
Previous Version LammpsExample2_fcc_Ar__TE_778998786610_001
LammpsExample2 fcc Ar TE_778998786610_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 1220
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 24176
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 2440
Pair_Lennard_Jones_Shifted_Bernardes_LowCutoff_Ar__MO_720819638419_002 view 3051
Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Ar__MO_126566794224_002 view 2763
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 4119
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 21554
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 3983
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 20859


Errors

  • No Errors associated with this Test


Download Dependency

This Test requires a Test Driver. Archives for the Test Driver LammpsExample2__TD_887699523131_002 appear below.


LammpsExample2__TD_887699523131_002.txz Tar+XZ Linux and OS X archive
LammpsExample2__TD_887699523131_002.zip Zip Windows archive

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