, or Intel MPI.
Jim
-Original Message-
From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org]
On Behalf Of Thamu
Sent: Thursday, June 11, 2009 9:13 AM
To: gmx-users@gromacs.org
Subject: [gmx-users] gromacs-4.0.5 parallel run in 8 cpu: slow speed
Hi Mark,
The top md.log
On 06/11/09, Thamu wrote:
>
> Hi Mark,
>
> The top md.log is below. The mdrun command was "mpirun -np 8
> ~/software/bin/mdrun_mpi -deffnm md"
In my experience, correctly-configured MPI gromacs running in parallel reports
information about the number of nodes and the identity of the node writ
Hi Mark,
The top md.log is below. The mdrun command was "mpirun -np 8
~/software/bin/mdrun_mpi -deffnm md"
:-) G R O M A C S (-:
GROup of MAchos and Cynical Suckers
:-) VERSION 4.0.5 (-:
Written by Dav
Thamu wrote:
Hi
Recently I successfully installed the gromacs-4.0.5 mpi version.
Possibly.
I could run in 8 cpu. but the speed is very slow.
Total number of atoms in the system is 78424.
while running all 8 cpu showing 95-100% CPU.
How to speed up the calculation.
On Thu, 2009-06-11 at 14:35 +0800, Thamu wrote:
> Hi
>
> Recently I successfully installed the gromacs-4.0.5 mpi
> version.
> I could run in 8 cpu. but the speed is very slow.
> Total number of atoms in the system is 78424.
> while running a
>
> Hi
>
> Recently I successfully installed the gromacs-4.0.5 mpi version.
> I could run in 8 cpu. but the speed is very slow.
> Total number of atoms in the system is 78424.
> while running all 8 cpu showing 95-100% CPU.
>
> How to speed up the calculation.
>
> Thanks
>
>
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