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.
Jonas/Rachel
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.
Lemieux
The Tru64-Alpha-Elan port of NAMD (binaries available) is built on and therefore should run on Lemieux.
T3E (Jaromir)
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.