AMBER Archive (2001)

Subject: Re: AMBER 6 on PME

From: Jarrod Smith (jsmith_at_structbio.vanderbilt.edu)
Date: Fri Apr 06 2001 - 13:07:57 CDT

Didier Rognan wrote:
>
> Dear AMBER users,
>
> I compiled sander on a 256 R12K SGI Origin 2000 using the Machine.sgi_mpi
> file (w/o problems). Energy minimisation is ok but I run into problems
> with md runs
>
> When runnning the dhfr benchmark test case:
>
> Using mpirun -np ..., the job is started, the first mdinfo file is
> written with correct information (analogous to bench.vermeer.4), and then
> nothing happens. Every sander job on each node uses 0% of the cpu, with no
> error message.
>
> Am I missing something ?

Is arrayd installed and running? The command '/sbin/chkconfig | grep
array' should return a something like:

      array on

If not, turn it on with the following (as root):

/sbin/chkconfig array on
/etc/init.d/array start

Jarrod 

-- 
Jarrod A. Smith
Research Asst. Professor, Biochemistry
Asst. Director, Center for Structural Biology
Computation and Molecular Graphics
Vanderbilt University

jsmith_at_structbio.vanderbilt.edu