I tried to run mpirun pmemd.MPI -ng 4 -groupfile
I get following error msg as pointed out by others before: *MPI version of
PMEMD must be used with 2 or more processors*!
However, when I am able to successfully run
mpirun sander.MPI -ng 4 -groupfile
mpirun pmemd.MPI -O -i input file -c
Kindly help!
Regards,
Neha
On 22 January 2013 17:20, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Dear List,
>
> I might have missed out on mailing list. I was wondering if there is multi
> pmemd functionality in amber 12 which might allow REMD simulations? I am
> not sure either about the implementation of 1-D temperature REMD using
> AMBER 12 on GPU/CPU ? How do you run such simulations?
>
> Many thanks,
> Neha
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Curtin Research Fellow,
> School of Biomedical Sciences,
> Curtin University,
> Perth GPO U1987
> Australia
> LinkedIn
> Research Gate
>
--
Regards,
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Australia
LinkedIn
Research Gate
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Received on Tue Jan 22 2013 - 02:30:03 PST
