NAMD Wiki: NamdAtPSC
See also NamdOnCrayXT3.
Cray XT3 Big Ben
NAMD jobs may be submitted with the script ~jphillip/NAMD_scripts/runbatch on this machine.
Be sure to specify -small_pages to yod if you write your own job script.
We will never be able to release XT3 binaries because they must be re-linked whenever the operating system is upgraded. A PSC-maintained NAMD installation is possible.
The Tru64-Alpha and Tru64-Alpha-MPI ports of NAMD (binaries available) are built on and therefore should run on Jonas. This is, however, a horrible waste of an expensive shared-memory machine.
The Tru64-Alpha-Elan port of NAMD (binaries available) is built on and therefore should run on Lemieux.
Trajectory reading (coorfile) does not work on the T3E. This is due to assumptions about 4 byte ints in the plugins.
Jaromir was be decommissioned on October 1, 2004. Therefore, NAMD 2.5 was the last version to support the T3E.