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Tuesday, September 14, 2004 |
|---|
| 7:00 p.m. | Welcoming Reception/Early registration and badge pick-up (Oak Ridge Mall, Club Room) |
|
Wednesday, September 15, 2004 |
|---|
| 7:30 a.m. | Bus departs Comfort Inn for ORNL |
| 8:00 a.m. | Continental Breakfast, Badging, etc. |
| 9:00 a.m. | NLCF Overview | Thomas Zacharia |
| 9:40 a.m. | Endstations | Thom Dunning |
| 10:10 a.m. | Cray vector roadmap | Jim Schwarzmeier |
| 10:40 a.m. | Break |
| 11:00 a.m. | X1 architecture
(pdf) | Trey White |
| 11:30 a.m. | Optimization emphasizing compilers and libraries (pdf) | Nathan Wichmann |
| 12:00 p.m. | Lunch (Bldg. 5100, Room 128) |
| 1:30 p.m. | CCS environment
(pdf) | Trey White |
| 2:30 p.m. | Hands-on |
| 5:30 p.m. | Adjourn/Bus departs ORNL for Comfort Inn |
|
Thursday, September 16, 2004 |
|---|
| 7:30 a.m. | Bus departs Comfort Inn for ORNL |
| 8:00 a.m. |
Continental Breakfast |
| 9:00 a.m. | Co-sponsor X1 site presentations*
*15 minutes for each site representative to discuss their site's resources, plans and expectations for
supporting computational chemistry running at their location. | David Ennis
AHPCRC, ARSC, ERDC, OSC-Springfield |
| 10:00 a.m. | Chemistry case study 1 –
GAMESS US, NW Chem | Nathan Wichmann |
| 10:20 a.m. | Chemistry case study 2 –
Gaussian, NAMD | Chen Lee |
| 10:40 a.m. | Break |
| 11:00 a.m. | Chemistry case study 3 –
CPMD Optimization (pdf) | Nathan Wichmann |
| 11:20 a.m. | Chemistry case study 4 –
Full-CI | Zhengting Gan |
| 11:40 a.m. | New Cray performance tools | Luiz DeRose |
| 12:30 p.m. | Lunch |
| 1:30 p.m. | Hands-on |
| 5:30 p.m. | Adjourn/Bus departs ORNL for Comfort Inn |
|
Friday, September 17, 2004 |
|---|
| 7:30 a.m. | Bus departs Comfort Inn for ORNL |
| 8:00 a.m. | Continental Breakfast |
| 9:00 a.m. | Chemistry end station discussion | Robert Harrison |
| 10:00 a.m. | Resource requirements discussion | Everyone |
| 11:00 a.m. | Hands-on |
| 12:00 p.m. | Adjourn (box lunch for those staying so that they can continue to work).
Bus departs ORNL for Comfort Inn |
