H H PPP CCC UK NATIONAL HPC SERVICE H H P P C C -------------------------- HHHHH PPP C x x EPCC and CCLRC Daresbury H H P C C xx Laboratory are members of H H P CCC x x the HPC-UK partnership ---------------------------------------------------------------------- HPCx User Mailing 084 3 November 2005 ---------------------------------------------------------------------- Contents ** Course: Computational Chemistry on HPCx: Daresbury, 30 November - 2 December ** HPCx Annual Seminar: Daresbury, 5 December ** 16th Machine Evaluation Workshop: Daresbury, 6-7 December ** Course: Optimisation for Power5: Daresbury, 8 December ** European Global Array Users' Meeting: Daresbury, 28-29 November ** Capability Computing, issue 6 ** Reminders... ---------------------------------------------------------------------- Greetings-- COURSE: COMPUTATIONAL CHEMISTRY ON HPCx Daresbury Laboratory, Wednesday-Friday, 30 November-2 December This course will provide an introduction to the computational chemistry software available on HPCx, with particular emphasis given to parallelisation strategies and the kinds of performance characteristics to be expected for particular classes of problem. Codes discussed will include GAMESS-UK, DL_POLY 3, NWChem, NAMD and CHARMM, and there will be an opportunity to use HPCx during the hands- on session. For further information, please go here: http://www.cse.clrc.ac.uk/events/HPCx_ChemistryTraining/ To register: http://www.cse.clrc.ac.uk/events/HPCx_ChemistryTraining/HPCxCompChem_RegForm.pdf ---------------------------------------------------------------------- HPCx ANNUAL SEMINAR "Capability Science on HPCx" Daresbury Laboratory, Monday 5 December The Third Annual Seminar will start a short season of events at Daresbury in December, and will include talks from experienced users in the UK. We will also hear from significant practitioners in HPC from Germany and the US, as well as from HPCx staff members and IBM. Earlier seminars have been extremely successful events. Attendance is free for all UK-based academics and users of HPCx. Further information and registration: http://www.hpcx.ac.uk/about/events/annual2005/ ---------------------------------------------------------------------- 16th MACHINE EVALUATION WORKSHOP Daresbury Laboratory, Tuesday-Wednesday 6-7 December Continuing the season of events at Daresbury, the 16th MEW will be the latest in a series of annual workshops which is now leading national event dedicated to distributed high performance scientific computing. The principle objective is to encourage close contact between the research communities from the Mathematics, Chemistry, Physics and Materials Programmes of EPSRC and the major vendors of workstations, software and peripherals. About a dozen major vendors making 20-minute presentations on topics such as hardware, compilers, graphics, storage, networking etc. There will be an exhibition and systems will be available for benchmarking. Further information: http://www.cse.clrc.ac.uk/disco/mew16/index.html Registration form http://www.cse.clrc.ac.uk/database/MEW16-reg-form.jsp ---------------------------------------------------------------------- COURSE: OPTIMISATION FOR POWER5 Daresbury Laboratory, Thursday 8 December Immediately following the Machine Evealuation Workshop, this course at Daresbury Laboratory will introduce the new Phase2a HPCx system, which is based on the Power5 processor. The course will cover the new architecture and optimization techniques (especially differences from the earlier Power4 architecture), and will also present initial results on the new system. Attendance is free for UK-baseed academics, but places are limited. Please register here: http://www.hpcx.ac.uk/support/training/form.html ---------------------------------------------------------------------- EUROPEAN GLOBAL ARRAY USERS' MEETING Daresbury Laboratory, Monday-Tuesday 28-29 November This meeting provides an opportunity for users of the Global Arrays (GA) toolkit to meet up with representatives of the development team, including Dr Jarek Nieplocha. The GA tools were developed at Pacific Northwest National Lab. as part of the Molecular Science Software Suite which also incorporates the NWChem package. GA has since been adopted by a number of European computational chemistry codes. Global Arrays (GA) toolkit: http://www.emsl.pnl.gov/docs/global More information and registration: http://www.cse.clrc.ac.uk/events/GA_UsersMeeting/ ---------------------------------------------------------------------- CAPABILITY COMPUTING, ISSUE 6 Issue 6 of Capability Computing, the HPCx newsletter, has now been posted to users and many other people. As well as news about HPCx, it includes significant reports from three user groups about their work on the service. If you didn't receive your copy, please let us know. We would also like to hear about UK researchers and other people who would like to subscribe. You can also find a PDF version on the website, here: http://www.hpcx.ac.uk/about/newsletter/HPCxNews06.pdf ---------------------------------------------------------------------- REMINDERS... There's a lot happening at the moment in HPCx, so here are reminders of items which were included in the last mailing. Change to Power 5: Break in Service ----------------------------------- HPCx is currently undergoing a major upgrade: the existing Power 4+ system is being replaced by a new system based on Power 5 processors. We are currently planning a break in service on 23-24 November to switch to the new system. HPCx and SC|05: Service Restrictions ------------------------------------ Two important Grid-based demonstrations at SC|05, 12-18 November will require dedicated resources on HPCx, resulting in a reduced service for other users. Come and visit EPCC and CCLRC at SC|05, Seattle, WA, 12-18 November, booths 132/136. Workshop: Progress in Environmental Engineering ----------------------------------------------- Daresbury, Monday, 21 November More information: http://www.cse.clrc.ac.uk/ceg/meetings/enveng/ Registration form: http://www.cse.clrc.ac.uk/ceg/meetings/enveng/EnvEng_RegForm.pdf Course: Scientific Visualisation using VTK ------------------------------------------ EPCC, Edinburgh, 23 November More inforamtion: http://www.hpcx.ac.uk/support/training/HPCxVis.html Registration: http://www.hpcx.ac.uk/support/training/form.html Course: Parallel IO using MPI-IO -------------------------------- EPCC, Edinburgh, 24 November More information: http://www.hpcx.ac.uk/support/training/HPCxMPIIO.html Registration: http://www.hpcx.ac.uk/support/training/form.html ---------------------------------------------------------------------- Regards --John ---------------------------------------------------------------------- HPC-UK partnership: http://www.hpc-uk.ac.uk ---------------------------------------------------------------------- Earlier mailings: http://www.hpcx.ac.uk/support/notices/index.html To be removed from the mailing list: log into your website account, go to the "Update" page, and click the "Opt out of user emails" field; then click "Commit update". -- John Fisher j.fisher@epcc.ed.ac.uk HPCx User Administration and Helpdesk HPCx: http://www.hpcx.ac.uk Helpdesk: support@hpcx.ac.uk Phone: +44 131 650 5029 Fax: +44 131 650 6555