[Beowulf] Problem running Jaguar on Scyld-Beowulf in parallel mode.

desi star desi_star786 at yahoo.com
Sat Mar 20 13:38:10 EST 2004


I have installed a molecular modeling software Jaguar
by Schrodinger Inc. on my scyld-beowulf 16 node
cluster. The software runs perfectly fine on the
master node but gives an error when I try to run the
program on more than one CPU. User manual of the
program suggests following steps to run Jaguar in
parallel mode:

1. Install MPICH and configure with option: 
   --with-comm=shared --with-device=ch_p4
2. Edit the machine.LINUX file in the MPICH directory
and list the name of the host and number of processors
on that host.
3. Test that 'rsh' is working
4. Launch the secure server ch4p_servs

We already have the MPICH installed on the cluster 
using package 'mpich-p4-inter-1.3.2-5_scyld.i368.rpm'.
I do not know whether package installation was done
with specific configure options in step#1. Do I need
to re-install the MPICH? I know that MPICH works
perfectly fine for the FORTRAN 90 programs on
different nodes.  

Also, Is it really important to enable 'rsh' on scyld?
The cluster is not protected by firewall so I want to
use the more secure 'ssh' but then do I need to
install the MPICH again telling it to use ssh rather
than rsh for communication? 

I am also wondering if the reason I am not been able
to run program on more than one CPU has to do with the
fact that Jaguar is not linked to MPICH libraries?

This is my first experience with MPICH and running
programs in parallel. I would really appreciate quick
tips and suggestions as to why I am not been to make
Jaguar run in the parallel mode.

Thanks in advance. Eagerly waiting for a response.


Pratap Singh.
Graduate Student,
The Chemical and Biomolecular Eng.
Johns Hopkins Univ.

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