Software installed on the IBM-cluster

OS: AIX 5.1D
Queueing system: LoadLeveler 3.1
- LoadLeveler, Using and Administering (PDF-format, 502 pages)
Compilers: Fortran, C and C++ version 8.1
- XL Fortran 8.1 User Guide (PDF-format, 507 pages)
- XL Fortran 8.1 Language Reference (PDF-format, 939 pages)
- C++ User Guide (PDF-format, 428 pages)
- C++ Language Reference Guide (PDF-format, 406 pages)
Math. library: ESSL 3.3
- ESSL Guide and Reference (PDF-format, 1022 pages)
Parallel math. library: PESSL 2.3
- Parallel ESSL Guide and Reference (PDF-format, 948 pages)
Parallel Operating Environment (MPI): POE 3.2
- Using the Parallel Operating Environment, vol. 1 (PDF-format, 186 pages)
- Using the Parallel Operating Environment, vol. 2 (PDF-format, 276 pages)
- MPI programming Guide (PDF-format, 218 pages)
- MPI subroutine reference (PDF-format, 626 pages)
- Messages (PDF-format, 192 pages)
Hardware Performance Monitor: HPM 2.4.2
Mathematical Acceleration Subsystem: MASS 3.2
- Mathematical Acceleration Subsystem (MASS)
Scalapack, version 1.7
- the ScaLapack homepage for further informations.
Fast Fourier Transforms, FFTW 2.1.3
- the FFTW homepage for further informations.
ATLAS
- the Atlas homepage for further informations.
- see an example how to use ATLAS.
Lapack
- the Lapack homepage at netlib for further informations.
- see an example how to use Lapack.
Gaussian 03
- Users affiliated with the University of Aarhus have access to Gaussian and GaussView.
  Click here for further instructions.
- The online Gaussian 03 manual at Gaussian.com.
Jaguar
- Users affiliated with Institute of Chemistry, University of Aarhus have access to Jaguar.
  Click here for further instructions and online documentation.
- Go to the Schrodinger homepage


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			Overview Hardware Software Batchjobs Hints Software installed on the IBM-cluster OS: AIX 5.1D Queueing system: LoadLeveler 3.1 LoadLeveler, Using and Administering (PDF-format, 502 pages) Compilers: Fortran, C and C++ version 8.1 XL Fortran 8.1 User Guide (PDF-format, 507 pages) XL Fortran 8.1 Language Reference (PDF-format, 939 pages) C++ User Guide (PDF-format, 428 pages) C++ Language Reference Guide (PDF-format, 406 pages) Math. library: ESSL 3.3 ESSL Guide and Reference (PDF-format, 1022 pages) Parallel math. library: PESSL 2.3 Parallel ESSL Guide and Reference (PDF-format, 948 pages) Parallel Operating Environment (MPI): POE 3.2 Using the Parallel Operating Environment, vol. 1 (PDF-format, 186 pages) Using the Parallel Operating Environment, vol. 2 (PDF-format, 276 pages) MPI programming Guide (PDF-format, 218 pages) MPI subroutine reference (PDF-format, 626 pages) Messages (PDF-format, 192 pages) Hardware Performance Monitor: HPM 2.4.2 Mathematical Acceleration Subsystem: MASS 3.2 Mathematical Acceleration Subsystem (MASS) Scalapack, version 1.7 the ScaLapack homepage for further informations. Fast Fourier Transforms, FFTW 2.1.3 the FFTW homepage for further informations. ATLAS the Atlas homepage for further informations. see an example how to use ATLAS. Lapack the Lapack homepage at netlib for further informations. see an example how to use Lapack. Gaussian 03 Users affiliated with the University of Aarhus have access to Gaussian and GaussView. Click here for further instructions. The online Gaussian 03 manual at Gaussian.com. Jaguar Users affiliated with Institute of Chemistry, University of Aarhus have access to Jaguar. Click here for further instructions and online documentation. Go to the Schrodinger homepage