[Linux-ivv4] FW: High Performance Computing in Chemistry and Life Sciences
Stefan Ost
ost@uni-muenster.de
Tue, 20 Aug 2002 17:02:34 +0200
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Zu Ihrer Information.
Viele Gr=FC=DFe
Stefan Ost
- ---
http://www.uni-muenster.de/ZIV/Mitarbeiter/StefanOst/=20
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From: "Frank Kraemer" <kraemerf@de.ibm.com>
Sender: <owner-aix-ak@listserv.uni-bonn.de>
To: <aix-ak@listserv.uni-bonn.de>
Subject: High Performance Computing in Chemistry and Life Sciences
Date: Mon, 19 Aug 2002 09:20:01 +0200
Message-ID: <OFDDCF1AAC.C518397F-ONC1256C1A.002791BB@de.ibm.com>
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IBM Scientific &Technical Computing Europe is pleased to announce a
two-day technical workshop
"High Performance Computing in Chemistry and Life Sciences"
October 15 and 16, 2002, at the Garching Computer Center (RZG) at the Max
Planck Institute for Plasma Physics (IPP) in Garching, Germany.
The workshop will focus on chemical and bioinformatics applications on IBM
systems. The agenda covers applications like Gaussian and BLAST, tools and
techniques for porting and optimizing, as well as updates on the HPC
technology roadmap of both POWER and LINUX.
To register or request further information please send an email to
webservm@de.ibm.com,
http://www.rzg.mpg.de/organisation/Events/IBM-HPC-Chem.html
http://www-5.ibm.com/de/events/hpccl/index.html
Draft Agenda:
|------------------------------------+------------------------------------|
|Day 1 : October 15, 2002 | |
|------------------------------------+------------------------------------|
|10:00 - 10:15 |Welcome |
| |Dr. Ulla Thiel, IBM |
| | |
|------------------------------------+------------------------------------|
|10:15 - 11:00 |IBM Strategy in HPC for chemistry |
| |and life sciences |
| |Peter Ungaro, IBM |
| | |
|------------------------------------+------------------------------------|
|11:00 - 11:30 |Coffee |
| | |
|------------------------------------+------------------------------------|
|11:30 - 12:15 |IBM Hardware and Software solutions |
| |for HPC |
| |Dr. Luigi Brochard, IBM |
| | |
|------------------------------------+------------------------------------|
|12:15 - 13:30 |Lunch |
| | |
|------------------------------------+------------------------------------|
|13:30 - 14:30 |Chemistry and bioinformatics |
| |applications on IBM platforms |
| |Dr. Carlos Sosa, IBM |
| | |
|------------------------------------+------------------------------------|
|14:30 - 15:00 |Coffee |
| | |
|------------------------------------+------------------------------------|
|15:00 - 15:45 |Workflows, grid-computing and new |
| |catalysts - experiences with High |
| |Throughput Computing |
| |Dr. Horst Weiss, BASF AG |
| | |
|------------------------------------+------------------------------------|
|15:45 - 16:15 |Coffee |
| | |
|------------------------------------+------------------------------------|
|16:15 - 17:00 |IBM Research in computational |
| |chemistry and biology |
| |Dr. Robert Germain, IBM Research |
| | |
|------------------------------------+------------------------------------|
|17:00 - 17:15 |Closing |
| | |
|------------------------------------+------------------------------------|
|20:00 - |Evening Event |
| | |
|------------------------------------+------------------------------------|
|------------------------+------------------------+------------------------|
|Day 2 : October 16, 2002| | |
| | | |
|------------------------+------------------------+------------------------|
|9:00 - 9:15 | | Coffee / Welcome |
|------------------------+------------------------+------------------------|
|9:15 - 12:30 | |Selected applications: |
| | | |
| | | - Gaussian |
| | | - AMBER |
| | | - Charmm |
| | | - GAMESS |
| | | - CPMD |
| | | |
| | | - BLAST |
| | | - FASTA |
| | | - CLUSTALW |
| | | - HMMeR |
| | | - GCG Wiscosin |
| | | Package |
| | | |
| | |Dr. Carlos P. Sosa, IBM |
| | |Dr. Angelo R. Rossi, IBM|
| | |Research |
| | |Dr. Alessandro Curioni, |
| | |IBM Research |
| | |Dr. Frank Ning Li, IBM |
|------------------------+------------------------+------------------------|
|12:30 - 14:00 | | Lunch |
|------------------------+------------------------+------------------------|
|14:00 - 16:00 | |Customer Presentations: |
| | | |
| | | - HPC in chemistry - |
| | | a joint research |
| | | project in Juelich |
| | | Dr. Thomas |
| | | Mueller, Research |
| | | Center Juelich |
| | | |
| | | - Transferring the |
| | | principle of high |
| | | throughput from the |
| | | lab to the computer |
| | | Dr. Daniel Vitt, |
| | | 4SC AG |
| | | |
| | | - Further customer |
| | | presentations to be |
| | | confirmed. |
| | | |
|------------------------+------------------------+------------------------|
|16:00 - 16:15 | | Closing |
|------------------------+------------------------+------------------------|
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