On Thu, Apr 30, 2009, Collins Nganou wrote:
> After doing some investigation, I discover that the variable DO_PARALLEL
> is not recognised by Amber10.
> The variable was properly declared in my bashrc file as follow : alias
> DO_PARALLEL='mpirun -np 4'
This is *not* the proper way. You need to set the DO_PARALLEL environment
variable, not a shell alias. For bash, type:
export DO_PARALLEL='mpirun -np 4'
(N.B.: this variable is only used for the test cases. When you run your own
jobs, you need to call mpirun in the ordinary way.)
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 20 2009 - 13:55:33 PDT
