Also see the Libraries on NY Blue/P page.
The applications listed below have been built and more are expected.
To use a licensed software product, mail a request to email@example.com indicating the name and version number(s) of the NY Blue licensed software product(s) you wish to use . You will receive a reply indicating what is required.
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.
These can be found in /bgsys/apps, which is exported to the compute nodes.
Exception: Click the hyperlink for entry names followed by (LIB) or (DBG) to see their location.
Note: Cmake is targeted to run on fenp but will temporarily reside here until /apps is created.
At the moment this directory (see exception above) contains builds of:
PAPI 3.9.0 (Used by TAU)
PDT 3.1.4 (Used by TAU)
QUANTUM ESPRESSO 4.2.1
VASP Parallel 4.6 (Multiple-K-Point version)
VASP Parallel 5.2 (Both Gamma-Point-Only and Multiple-K-Point versions)
FFTW 2.1.5 (Both MPI Parallel and Uniprocessor versions)
FFTW 3.1.2 (Serial version)
NAMD 2.8 (MPI version)
NAMD 2.8 (DCMF version)
CHARM++ 6.3.2 (In NAMD 2.8 directory)
FFTWGEL 2.1.5 (In NAMD 2.8 directory)
TCL 8.5.10 (In NAMD 2.8 directory)
ESSL 4.4 (LIB)
MASS 4.4 (LIB)
LAPACK 3.2 (LIB)
BLAS (LIB) (This link describes netlib and essl blas)
SCALAPACK 1.8.0 (LIB)
Check /bgsys/apps to see what is available at any time.
The following point to an external site (IBM):