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
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)
For cluster designed parallel runtime environments
- openMPI 1.8.8 für GNU- und Intel-Compiler with or without RDMA with infiniband
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:
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.
The operation is controlled by teh Open Grid Scheduler/Grid Engine.
You may monitor the state of the cluster with the address
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)
The control computer dirac-meister can be used as a gateway to these directories.