Software inventory

OpenSUSE Linux 13.1 (64 Bit) will be used at the control computer dirac-meister and the computing nodes.

Programming languages and environments

For programm development there are compilers for

• FORTRAN
• C
• C++
• Java

from different origins:

• GNU compiler suite (4.8.1) gcc, g++, gcj and gfortran
• Intel compiler (15.0.4) für C icc, C++ icpc and FORTRAN ifort with graphical debugger idb and Intel Math Kernel Libraries MKL (contains BLAS and parts of LAPACK)

Parallel environments

For cluster designed parallel runtime environments

• openMPI 1.8.8 für GNU- und Intel-Compiler with or without RDMA with infiniband

are provided.

After login all programs are available. The correct parallel environments must be selected by special scripts.

Special program packages

In /opt there are some speical program packages preinstalled:

• *Crystal14
  CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has been distributed publicly.
  
  
• GROMACS 5.1.2 with Infiniband RDMA
  A molecular dynamics package primarily designed for biomolecular systems such as proteins and lipids. It is a free software.

Status monitor

The operation is controlled by teh Open Grid Scheduler/Grid Engine.

You may monitor the state of the cluster with the address

http://dirac-meister.basisit.de/ganglia/?c=dirac

in real time and up to one year before.

Availabilty of software from the intranet

At the computing nodes, only /opt with cluster local installed software is reachable. /home is reachable, too. Programs with pathes beginnung with /net/ are unreachable.

At dirac-meister the directories with

• central home directories /net/home,
• central temporary storage /net/temp,
• central group directories /net/group,
• local directories on workplace PCs /chmi/computername)

are available.

The control computer dirac-meister can be used as a gateway to these directories.