Lindgren

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|description=Cray XE6 capability cluster with 305 TFLOPS peak performance
|description=Cray XE6 capability cluster with 305 TFLOPS peak performance
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|commissioning date=July 2010
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|decomissioning date=June 2014
|centre=PDC
|centre=PDC
|software=Amber,CP2K,CPMD, Dalton, ESPResSo, Edge, Fire, Fluent, GPAW, GROMACS, GAMESS, Intel compiler suite, MKL, MPQC, NAMD, OpenFOAM, OpenMX, PGI, PowerFLOW, Quantum Espresso, STAR-CD, StarCCM ,VASP
|software=Amber,CP2K,CPMD, Dalton, ESPResSo, Edge, Fire, Fluent, GPAW, GROMACS, GAMESS, Intel compiler suite, MKL, MPQC, NAMD, OpenFOAM, OpenMX, PGI, PowerFLOW, Quantum Espresso, STAR-CD, StarCCM ,VASP

Revision as of 08:40, 15 March 2012

Name Lindgren
Description Cray XE6 capability cluster with 305 TFLOPS peak performance
Resource type
Centre PDC
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End date   {{{end date}}}warning.pngThe date "{{{end date}}}" was not understood.

Available software

Software Field License Description
ANSYS Computational fluid dynamics Requires license large modeling suite
Amber Computational chemistry
Molecular dynamics
Requires license molecular dynamics
CP2K Computational materials science
Computational chemistry
Free atomistic and molecular simulations code
CPMD Computational materials science
Computational chemistry
Free plane-wave DFT
DDT System tool Site license Debugger
Dalton Computational chemistry powerful molecular electronic structure program.
Desmond Molecular dynamics
Computational chemistry
Free molecular dynamics package
ESPResSo Computational materials science
Computational chemistry
Free molecular dynamics of soft matter systems
Edge Computational fluid dynamics unstructured CFD solver
Fire Computational fluid dynamics Requires license commercial computational fluid dynamics package
Fluent Computational fluid dynamics Requires license commercial computational fluid dynamics package
GAMESS Computational materials science
Computational chemistry
Free ab initio quantum chemistry
GPAW Computational materials science
Computational chemistry
Free real-space DFT
GROMACS Molecular dynamics
Computational chemistry
Bioinformatics
Free versatile package for molecular dynamics
Intel compiler suite System tool Site license compilers for C, C++ and Fortran
MKL System tool Site license efficient mathematics library
MPQC Computational chemistry Free ab initio quantum chemistry
NAMD Computational chemistry
Molecular dynamics
Free parallel molecular dynamics code
OpenFOAM Computational fluid dynamics Free free, open source CFD software package by OpenCFD Ltd
OpenMX Computational materials science
Computational chemistry
Free density-functional theory code
PGI System tool Site license compiler suite
PowerFLOW Computational fluid dynamics Requires license commercial computational fluid dynamics package
Quantum Espresso Computational materials science
Computational chemistry
Free DFT based electronic structure modeling codes
STAR-CD Computational fluid dynamics Requires license commercial computational fluid dynamics package
StarCCM Computational fluid dynamics Requires license commercial computational fluid dynamics package
TAU Performance optimisation
Parallel programming
Computational science
Free profiling and tracing tool-kit for performance analysis of parallel programs
VASP Computational materials science
Computational chemistry
Requires license electronic structure calculation

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