[gmx-users] mpi mdrun

jayant james jayant.james at gmail.com
Thu Jun 18 19:03:03 CEST 2009

Thanks for your reply. So I suppose I need to have a hostfile in my
directory and call it during the mpirun command.  I have one clarification,
since I am using a quad core how am I to list the processors on the host
file? would it need to open a file name \d hostfile and have a list for
example like some thing below?
processor 2
processor 3
processor 4

or is getting to the hostfile an automated process (i.e.,) results from
executing a program?
I just put a search for host file and saw a folder by that name in the
directory below

On Wed, Jun 17, 2009 at 9:42 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> jayant james wrote:
>> Hi!
>> Oh!! I see that nnodes: 1. So does that mean that the job I gave is not
>> running on four processors? If so how am I to solve this problem?
> You haven't configured your MPI system with a suitable hostfile/whatever
> for your machine, probably.
> Mark
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Jayasundar Jayant James

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