Software installed on the Grendel cluster

OS: CentOS 4.7 Linux 64 bit
Queueing system: Torque 2.3.6 and Maui 3.2.6p21
Compilers:
Portland Group , Inc. version 10.0
- PGI User Guide (PDF-format, 496 pages)
- PGI Tools Guide (PDF-format, 248 pages)
- PGI Fortran Reference (PDF-format, 352 pages)
- PGI Release notes (PDF-format, 40 pages)
Intel Compiler Suite version 11.1.064
- To enable access to the Intel compilers on other nodes type: source /com/bin/intel.sh
  This is not necessary on the frontend.
- View online Intel Fortran Documentation
- View online Intel C/C++ Documentation
- Intel Fortran, Language Reference (PDF-format, 852 pages)
- Intel Fortran, Libraries Reference (PDF-format, 580 pages)
GNU Fortran version 4.4.3
- Type: source /com/gfortran/4.4.3/bin/gfortranvars.sh
  to get access to the GNU Fortran compiler (also necessary at runtime) - could be added to the .bashrc -file.
  Then type man gfortran for information about the compiler.
Debuggers:
Totalview version 8.7.0-7
- Type: source /com/totalview/totalview.sh
  to get access to the Totalview debugger (could be added to the .bashrc -file).
  Then type man totalview for information about the debugger.
- Totalview Users Guide (PDF-format, 466 pages)
- Totalview Reference Guide (PDF-format, 352 pages)
- Totalview Memory Scape (PDF-format, 150 pages)
- Totalview Graphic UI Reference Guide (PDF-format, 258 pages)
- Totalview Replay Engine (PDF-format, 14 pages)
- Totalview Platform Requirements (PDF-format, 24 pages)
Libraries:
AMD Core Math Library, ACML 4.3:
- AMD Core Math Library (PDF-format, 239 pages)
Intel Math. Kernel Library, MKL
- Intel Math Kernel Library, Reference Manual (PDF-format, 3464 pages)
- Intel Math Kernel Library, User Guide (PDF-format, 130 pages)
- Intel Math Kernel Library, Vector Stat. library Notes (PDF-format, 123 pages)
LAM-MPI: include '/com/lam-pgi/bin' in front of your path to get mpif90 etc.
MPICH2: include '/com/mpich2-1.0.3/bin' in front of your path to get mpif90 etc.
- MPICH2 User Guide (PDF-format, 35 pages)
OpenMPI: Type: source /com/OpenMPI/1.2.8/intel/bin/openmpi.sh (Bourne-shell)
to get access to OpenMPI compilers, libraries and manpages.
ScaLapack: See our short Guide to use ScaLapack on the Grendel cluster.
Gaussian:
Gaussian 03 rev. D01
- w. Linda (parallel version) for shared- and distributed memory systems
- subg03, the submission tool for Gaussian 03 jobs. Click here for further instructions
Gaussian 09 rev. A02
- w. Linda (parallel version) for shared- and distributed memory systems
- subg09, the submission tool for Gaussian 09 jobs.


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			Overview Hardware Software Batchjobs Hints Software installed on the Grendel cluster OS: CentOS 4.7 Linux 64 bit Queueing system: Torque 2.3.6 and Maui 3.2.6p21 Compilers: Portland Group , Inc. version 10.0 PGI User Guide (PDF-format, 496 pages) PGI Tools Guide (PDF-format, 248 pages) PGI Fortran Reference (PDF-format, 352 pages) PGI Release notes (PDF-format, 40 pages) Intel Compiler Suite version 11.1.064 To enable access to the Intel compilers on other nodes type: source /com/bin/intel.sh This is not necessary on the frontend. View online Intel Fortran Documentation View online Intel C/C++ Documentation Intel Fortran, Language Reference (PDF-format, 852 pages) Intel Fortran, Libraries Reference (PDF-format, 580 pages) GNU Fortran version 4.4.3 Type: source /com/gfortran/4.4.3/bin/gfortranvars.sh to get access to the GNU Fortran compiler (also necessary at runtime) - could be added to the .bashrc -file. Then type man gfortran for information about the compiler. Debuggers: Totalview version 8.7.0-7 Type: source /com/totalview/totalview.sh to get access to the Totalview debugger (could be added to the .bashrc -file). Then type man totalview for information about the debugger. Totalview Users Guide (PDF-format, 466 pages) Totalview Reference Guide (PDF-format, 352 pages) Totalview Memory Scape (PDF-format, 150 pages) Totalview Graphic UI Reference Guide (PDF-format, 258 pages) Totalview Replay Engine (PDF-format, 14 pages) Totalview Platform Requirements (PDF-format, 24 pages) Libraries: AMD Core Math Library, ACML 4.3: AMD Core Math Library (PDF-format, 239 pages) Intel Math. Kernel Library, MKL Intel Math Kernel Library, Reference Manual (PDF-format, 3464 pages) Intel Math Kernel Library, User Guide (PDF-format, 130 pages) Intel Math Kernel Library, Vector Stat. library Notes (PDF-format, 123 pages) LAM-MPI: include '/com/lam-pgi/bin' in front of your path to get mpif90 etc. MPICH2: include '/com/mpich2-1.0.3/bin' in front of your path to get mpif90 etc. MPICH2 User Guide (PDF-format, 35 pages) OpenMPI: Type: source /com/OpenMPI/1.2.8/intel/bin/openmpi.sh (Bourne-shell) to get access to OpenMPI compilers, libraries and manpages. ScaLapack: See our short Guide to use ScaLapack on the Grendel cluster. Gaussian: Gaussian 03 rev. D01 w. Linda (parallel version) for shared- and distributed memory systems subg03, the submission tool for Gaussian 03 jobs. Click here for further instructions Gaussian 09 rev. A02 w. Linda (parallel version) for shared- and distributed memory systems subg09, the submission tool for Gaussian 09 jobs.