NYBlue/L: Applications Support


Overview

Applications Targeted to Run on the FEN

Applications Targeted to Run on the Compute Nodes

Application Build Notes

References of Interest to Application Developers



Overview of Applications on NYBlue

In addition to the applications listed here, BLAS, BLACS, LAPACK, MASS, and ESSL are available.

See the Libraries on NYBlue/L page for information about those five packages.

Beyond those libraries, a number of applications have been built and more are expected.

It is strongly advised that you first test an application before using it. Use at your own risk. We request that users help us test these builds.

See information in the directory for a particular application for any information about the build, including any tests that may have been performed for the application after it was built . Such information is contained in a file typically named IMPORTANT.NOTICE or IMPORTANT_NOTICE or README.

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Applications Targeted to Run on the FEN

These can be found in /apps.

/apps is not exported to the compute nodes.

At the time of this writing /apps contains builds of

NCO
UDUNITS
NETCDF
ANTLR
NCL
G2CLIB
HDF4
HDF5
JASPER
LIBPNG
NCVIEW 1.93

You can also check /apps on NYBlue/L to see what is currently available.

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Applications Targeted to Run on the Compute Nodes

These can be found in /bgl/apps, which is exported to the compute nodes. At the moment this directory contains builds of

AMBER 10
NAMD 2.6 OPTIMIZED
NETCDF 3.6.2
PMEMD 9 USING MASSV library
PMEMD 9 NOT USING MASSV LIBRARY
NWCHEM
HDF5
FFTW-GEL 2.1.5 for Blue Gene/L
PETSC 2.3.3-p8
PETSC EXTERNAL PACKAGE: BLAS
PETSC EXTERNAL PACKAGE: LAPACK
PETSC EXTERNAL PACKAGE: HYPRE-2.0.0
PETSC EXTERNAL PACKAGE: SuperLU_DIST_2.0-Jan_5_2006
PETSC EXTERNAL PACKAGE: SuperLU_3.0-Jan_5_2006
PETSC EXTERNAL PACKAGE: SCALAPACK
PETSC EXTERNAL PACKAGE: BLACS
ESMF 2.2.2.rp3
TAU 2.18
PAPI 3.6.2 (Used by TAU)
PDT 3.1.4 (Used by TAU)
GAMESS
QUANTUM ESPRESSO 4.0.4
VASP 4.6 Parallel
FFTW 2.1.5 (Both MPI Parallel and Uniprocessor versions)

Check /bgl/apps to see what is available at any time.

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Application Build Notes

Building NAMD 2.6 from Source

Building PMEMD 9 from Source

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References of Interest to Application Developers

The following point to an external site (IBM):

IBM Documentation:Blue Gene/L Application Development

IBM Documentation:Blue Gene/L Performance Analysis Tools

IBM Documentation: Unfolding the IBM eServer Blue Gene Solution

IBM Documentation:Using the XL Compilers for Blue Gene

IBM Fortran and IBM C/C++ compiler manuals.



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Last Modified: Wednesday, July 08, 2009
Please forward all questions about this site to: NYBlue Web Administrator


DOEOne of ten national laboratories overseen and primarily funded by the Office of Science of the U.S. Department of Energy (DOE), Brookhaven National Laboratory conducts research in the physical, biomedical, and environmental sciences, as well as in energy technologies and national security. Brookhaven Lab also builds and operates major scientific facilities available to university, industry and government researchers. Brookhaven is operated and managed for DOE’s Office of Science by Brookhaven Science Associates, a limited-liability company founded by Stony Brook University, the largest academic user of Laboratory facilities, and Battelle, a nonprofit, applied science and technology organization.

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