[mpich-discuss] MPICH and NWCHEM

[James Dinan]

Hi Chris,

MPICH2 and its Hydra job launcher should work with LSF.  If there's a 
compatibility issue then it may be a configuration problem that your 
system administrator can help you resolve.  We do have experience with 
GA/NWCHEM and MPICH and would like to help you get this sorted out. 
It's unfortunately hard when you have an old version of MPICH because 
many bugfixes and improvements have been made that may have already 
fixed your problem.

Is there a possibility that you can talk with your system admin to get 
the latest MPICH2 installed or resolve your LSF problem?  If this is not 
possible, can build the latest MPICH2 in your home directory and send us 
information on the error you are getting from LSF when running a simple 
MPI test program?

Best,
  ~Jim.

On 5/25/11 1:57 PM, Christopher O'Brien wrote:
> Anthony,
> I don't have root access, and I won't get it, and therefore have not been able to upgrade to MPICH2. I once tried to compile it in my home directory, but I was unable to get my lsf queuing system to use my executable. Are you aware of instructions on how to use MPICH2 with lsf without reconfiguring lsf at the root level?
>
> Thanks,
> Chris
>
>
> ===================================================================
> Christopher J. O'Brien
> cjobrien at ncsu.edu
> https://sites.google.com/a/ncsu.edu/cjobrien/
>
> Ph.D. Candidate
> Computational Materials Group
> Department of Materials Science&  Engineering
> North Carolina State University
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