Dear fimm cluster users:

We have recently added two extra login nodes (login2 and login3 ) to Current login1 will be go under maintenance for short period of time,and will be added back eventually.

We kindly ask you to save your current work on login1 and log-off from login1 and relogin again, you will landed one of login2 or login3. When you do "ssh fimm" DNS server will pick login node according to round-robin scheduling.

Eventually we will have 3 login nodes on fimm(login1, login2,login3), all of them has identical hardware, you can ssh between login nodes.

We have done this to increase redundancy and uptime.

Let us know if this caused any problem for you.

The distributed C/C++ compiler distcc and compiler cache ccache was installed on the linux cluster Both are by default calling the system 'gcc' compiler, but can also call other compilers.

distcc will speed up compile jobs by distributing the build over a cluster of nodes (currently 3 dual cpu Pentium4 Xeon nodes = 12 virtual cpus). To speed up builds using distcc, simply specify 'make -j12 CC=distcc'.

ccache will keep a cache of object files generated during builds, and re-use them when it sees that the exact same source is being rebuilt using the exact same compiler switches. If you're doing lots of "make clean; make" on the same sources, ccache will speed it up a lot! All you need to do is to specify 'make CC=ccache'.

distcc and ccache can also be used together via 'make -j12 CC="ccache distcc"'.

ADF version 2004.01 has been installed and made the default version on the regatta. Use 'module load adf' to use it.

Major improvements with respect to the 2003 version include:

  • New modules for the ADF graphical user interface, now more user-friendly than ever

  • Various improvements for geometry optimizations and (analytic) Hessian calculations

  • Availability of hybrid xc energy functionals, such as B3LYP

  • Much new functionality: chiral optical properties, NBO interface, many speed-ups, ...

For complete list of changes, please see

Gaussian 02 C.02 has been installed on the linux cluster under /localnet/Gaussian/g03c02. Set up your environment for it by sourcing /localnet/Gaussian/g03c02/g03/bsd/g03.profile or /localnet/Gaussian/g03c02/g03/bsd/g03.login depending on what shell you're using. g03.profile for bourne/bash/ksh, g03.login for csh/tcsh.

OBS: You will have to be a member of the unix group "gaussian" to use Gaussian. Contact if you don't have, and need access.

For information on new features and bugfixes in this release, read

The IBM High Performance Computing Toolkit has been installed on the regatta.

The IBM High Performance Toolkit is a collection of tools and libraries which make it easy to collect performance data from a program. It provides libraries to to gather data from programs parallelized with OpenMP, SHMEM and MPI. It allows you to collect data from the hardware performance counters too. With SiGMA a tool is provided which is able to show the utilisation of the memory with a very fine granularity. The PeekPerf GUI is able to show the collected data within one window.

The Turbo libraries allows to improve the communication performance of MPI just by linking with this library.

Please check for documentation on the individual parts of this toolkit, and examples under the /usr/local/ihpct/examples directory.