[gmx-users] HPC mpi how to run batch system

[Mark Abraham]

On 23/12/2010 6:58 PM, gromacs wrote:
> I think the batch system will be more efficient. The interactive mode 
> is not good, because we have to wait for the job.
> So is there any program or do we have to write some small program to 
> creat a batch jobs?

You normally need to write a script. The administrators of your system 
will have to provide you with an example. We can't give help for that.

Mark

> Thanks
> -------- Forwarding messages --------
> From: gromacs <ptf1242 at 163.com>
> Date: 2010-12-15 09:42:04
> To: gmx-users at gromacs.org
> Subject: HPC mpi how to run
> Hi ,
> I have installed PSFTP and PuTTY. I have seen the Gromacs-4.0.7 in 
> ./opt in wivenhoe (cluster), and i know how to upload my file to my 
> folder using PSFTP. However i donot know how to run it in HPC; when i 
> using Gromacs-4.0.7 in my desktop, if the Gromacs is installed 
> properly, there will be a line when i type the command 'luck'.
> How can i see the gromacs whether it istalled properly?
> how can i run simulations on HPC?
> Thanks!
>
>
>
>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101223/7b3fad78/attachment.html>