Changes between Version 10 and Version 11 of namd

Timestamp:

05/01/09 09:24:28 (7 months ago)

Author:

brs

Comment:

--

namd

@@ -33 +33 @@
 NAMD can run well on most types of hardware on the cluster.  For the vast majority of cases, memory is not as big an issue as CPU time and the program is parallel "enough" to ensure that it runs reasonably well over GigE though it will run better on Myrinet or InfiniBand.  The following job script will run NAMD over eight processors on InfiniBand with an 8 hour CPU time limit:
 {{{
-#!/bin/bash
 #$ -N namd_job
 #$ -j y
 #$ -o output.$JOB_ID
+#$ -cwd
 #$ -pe ompi* 8
-#$ -l h_cpu=08:00:00,i_ib=TRUE
+#$ -l h_cpu=08:00:00,i_ib=true
 
 module add apps/namd/2.7b1