News Type

Date

News

Training

26-Jan-2012

NSCCS Applied Computational Chemistry Workshop for Synthetic Organic Chemists - registration opens

The NSCCS will be holding an Applied Computational Chemistry Workshop for Synthetic Organic Chemists on the 17^th & 18^th April 2012 at Imperial College London.

Registration is now open. Please visit the following web link for more information and to register for the workshop.

http://www.nsccs.ac.uk/SOC2012.php

Service

16-Dec-2011

NSCCS operations cover over Christmas & New Year holiday

The hardware support at STFC RAL will be closed at 3:00pm on Friday 23^rd December and reopens on Tuesday 3^rd January. Automated monitoring will continue during the holidays and there will be limited call-out cover for major site infrastructure during the period. User queries to the helpdesk (columbus@hpc-support.rl.ac.uk) will be dealt with from 3^rd January.

The NSCCS support at Imperial College London will be closed from Thursday 22^nd December to Friday 6^th January inclusive. Helen & Alex will be away at a meeting from Wednesday 4^th to Friday 6^th January with limited access to emails. User queries to Helen, Alex and NSCCS support email will be dealt with from 9^th January.

Website

14-Dec-2011

NSCCS web site unavailable on Friday 16th December

The NSCCS web site will be unavailable this Friday (16/12/2011) between 10:30 and 14:00 due to web site migration to a new server.

Apologies for the inconvenience caused.

Service

28-Sep-2011

NSCCS User Meeting 2011

The 2011 NSCCS User Meeting will take place on Wednesday 7^th December at Imperial College London. The meeting will consist of two user talks to be presented by Dr Jonathan McMaster (University of Nottingham) and Dr Stuart Mackenzie (University of Oxford), followed by a plenary talk to be presented by Dr Jonathan Goodman (University of Cambridge). There will be poster sessions during the afternoon tea break and the event will end with a wine reception.

Click here for more details and to register

Software

26-Jul-2011

CPMD - version 3.15.1 now available

CPMD version 3.15.1 is now available on Magellan. Access is via the $CHEM/runcpmd315 command and runs both in serial and in parallel.

Due to license restrictions, users must have signed a CPMD license agreement before they can be given access to the code. For more information about this, please contact the Service Manager.

For more details on running CPMD version 3.15.1 on Magellan, please see the man page by typing: man runcpmd315

Version 3.11.1 is still available and can be accessed via the $CHEM/runcpmd runscript.