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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

A number of applications have been built and more are expected.

It is strongly advised that you first test an application before using it. 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 .

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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
JASPER
LIBPNG
NAMD
PMEMD9

It contains a version of PMEMD9 that uses the MASSV library, and one that does not.

Check /apps to see what is currently available.

NOTE:
The two PMEMD9 versions and NAMD run on the compute nodes, not the FEN, and are also in /bgl/apps. They will consequently be removed from /apps on or about 9/27/08.

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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

NWCHEM
AMBER 10
NAMD 2.6 OPTIMIZED
NETCDF 3.6.2
PMEMD 9

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, August 27, 2008
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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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