AMBER Archive (2006)

Subject: RE: AMBER: on the rst file of the current ruuning

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Sep 18 2006 - 10:58:01 CDT

Dear Fenghui,

> As your e-mail said, if we input with sander ------ &,
> I can turn off my laptop and the cluster will run it.
> One thing I cannot understand is that when I turn off
> my laptop, there will be a *.rst file of the current
> running of the current MD. When I recheck my sanser
> after sometine, does the cluster give my laptop
> another another*.rst of the current ruuning to replace
> the one the computer saved before I turned off the
> laptop? In my opinion, the *.rst should shows the most
> recent MD status, however how does the *.rst in my
> working directory reflect this?
>
> As we know, after we finish the current MD we can use
> *.rst to get the latest PDB file.

This shows a fundamental misunderstanding of the way cluster based computing
and networked filesystems work. I suggest you take the time to read up on
the basics of clusters and remote filesystems.

Without knowing how your cluster is setup and where the files are written /
how jobs are submitted etc etc it is very hard to even understand what your
email above is asking let alone how to answer it.

I suspect that your laptop just mounts a remote file system on the cluster
over the network and you are just remotely connecting to this filesystem.
Beyond this everything else would be just a guess.

Please speak to the person running your cluster and ask them for a quick 30
minute introduction to how things work.

All the best
Ross

/\
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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
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