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LammpsExample2_diamond_Si__TE_837477125670_002

Title
A single sentence description.
LammpsExample2_diamond_Si: energy-volume curve of diamond Silicon
Description This example Test illustrates the use of LAMMPS in the openkim-pipeline to compute an energy vs.
lattice constant curve for diamond Silicon. The curve is computed for lattice constants
ranging from Angstroms to Angstroms, with most lattice spacings sampled about
Angstroms.
Species
The supported atomic species.
Si
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_837477125670_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_diamond_Si__TE_837477125670_002
Citable Link https://openkim.org/cite/TE_837477125670_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_diamond_Si__TE_837477125670_001
LammpsExample2 diamond Si TE_837477125670_002


Models

EDIP_BOP_C__MD_506186535567_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)
EDIP_BOP_Bazant_Kaxiras_Si__MO_958932894036_001 view 22695
Four_Body_Mistriotis_Flytzanis_Farantos__MD_514777050453_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)
Four_Body_Mistriotis_Flytzanis_Farantos_Si__MO_080526771943_000 view 23660
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 933
Tersoff_LAMMPS__MD_077075034781_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)
Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_002 view 1220
Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_001 view 1220
Tersoff_LAMMPS_Tersoff_PRB37_1988_Si__MO_245095684871_001 view 1723
Tersoff_LAMMPS_Tersoff_PRB38_1988_Si__MO_186459956893_001 view 1471
Tersoff_LAMMPS_Tersoff_PRB39_1989_CSi__MO_171585019474_001 view 1364
Tersoff_LAMMPS_Tersoff_PRB39_1989_GeSi__MO_350526375143_001 view 1723
Three_Body_Stillinger_Weber__MD_335816936951_003
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)
Three_Body_Stillinger_Weber_Balamane_Hauch_Brittle_Si__MO_381114941873_001 view 1902
Three_Body_Stillinger_Weber_Balamane_Si__MO_113686039439_003 view 2297
Three_Body_Stillinger_Weber_Hauch_Brittle_Si__MO_119167353542_003 view 2333
Three_Body_Stillinger_Weber_Si__MO_405512056662_004 view 1759
Three_Body_Stillinger_Weber_Zhang_Silicene_Model1_Si__MO_800412945727_003 view 1400
Three_Body_Stillinger_Weber_Zhang_Silicene_Model2_Si__MO_475612090600_003 view 1579


Errors

  • No Errors associated with this Test


Download Dependency

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

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