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User Mailing

ICHEC mail #37

Posted: 2007-10-19

Dear ICHEC users,


1. Scheduled downtime
2. Updated programming environment
3. Users Council
4. ICHEC Roadshow 2007
5. Acknowledging ICHEC in publications / reporting publications
6. Nanoscale Simulators in Ireland

1 – Scheduled downtime

Our next scheduled downtime (SDT) will take place on Thursday 25th October, between 17:30 and 20:30. All systems will be affected. Details of the work to be undertaken are as follows:

- Apply a number of security updates including kernel updates to Walton
- Make some configuration changes to our GPFS filesystems.

See http://www.ichec.ie/status for further information.

2 – Updated programming environment

A number of new packages, tools and compilers have recently been updated on both Walton and Hamilton. These are:

- DDT 2.1.3 (Both systems) - Much improved GUI experience
- OPT 1.3.1 (Walton)
- Intel Fortran 10.0.026 (Hamilton)
- Intel C++ 10.0.026 (Hamilton)
- Intel (C)MKL 9.1.023 (Hamilton)
- Turbomole 5.9.1 (Walton)
- Chemshell 3.1b1 (Walton)

All those are managed under the "module" environment. The command "module avail" will list all modules available for loading.

3 – Users Council

I am delighted to announce the creation of the Users Council. The Council's co-chairs, Prof. Stefano Sanvito and Dr. Jiri Vala, will contact all PIs nominated to the Council very shortly to finalise details for the Council's inaugural meeting.

4 – ICHEC Roadshow 2007

ICHEC has recently started its 2007 roadshow, as part of which we will be visiting all Universities across the country, in Dublin, Cork, Galway, Limerick and Maynooth. Events have already been held at NUI, Maynooth and UCD.

These meetings are organised to provide us with an opportunity to meet researchers across the country and bring you up to date with the latest developments concerning High Performance Computing service provision in Ireland, and more specifically, how ICHEC can assist you meeting your requirements (both in terms of storage and compute resources, but also in terms of support and consultancy). You will appreciate that the recent funding of the e-INIS initiative (towards a National e-Infrastructure) as part of the HEA PRTLI4 will open up new opportunities which ICHEC are keen to explore with researchers at your institution.

The session is expected to last between 1 and 1.5 hours, and will include a 30 minutes presentation followed by a Q&A session.

We are hoping to see you there!

See http://www.ichec.ie/news/1187358891 for a schedule of future meetings.

5 - Acknowledging ICHEC in publications / reporting publications

We would appreciate a formal acknowledgment of ICHEC by inclusion in any resulting publications of the following sentence or some variation thereof:

"The authors wish to acknowledge the SFI/HEA Irish Centre for High-End Computing (ICHEC) for the provision of computational facilities and support."

See our FAQ.

We would also appreciate if you could let us know when such publications are being accepted for publication, as this constitutes one of the major metrics by which the scientific impact of ICHEC will be assessed.

This list will be kept up to date at http://www.ichec.ie/publications.

6 - Nanoscale Simulators in Ireland

Dr. Simon Elliott has recently announced the creation of a new network of simulators in Ireland. Further information can be found in our News section, at http://www.ichec.ie/news/1192650663.

Best wishes,

PS: previous User Mailings can be found at http://www.ichec.ie/newsletters.

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