you can use ptraj, version 9 has some LES support.
Kailee wrote:
> Hi, Gustavo,
>
> Yes, it works, and I got the following printed out:
>
> Linux fe07 2.6.9-42.0.2.ELsmp #1 SMP Tue Aug 22 18:36:24 CDT 2006
> x86_64 x86_64 x86_64
> GNU/Linux
>
> And I just emailed the cluster administrator, he said we should call
> our machine a Beowulf-linux cluster.
>
> Therefore, if I want to analyse LES results, what should I use?
>
> Thank you for your help.
>
> Regards,
> Kailee
>
> On 1/25/07, *Gustavo Seabra* <gustavo.seabra.gmail.com
> <mailto:gustavo.seabra.gmail.com>> wrote:
>
> Kailee,
>
> Does 'uname -a' work in your system?
>
> Gustavo.
>
> On 1/25/07, Kailee < kaileeamber.googlemail.com
> <mailto:kaileeamber.googlemail.com>> wrote:
> > Dear Carlos,
> >
> > Thanks for your reply. I think the machine I am using is SGI
> machine,
> > however, is there a way I can confirm whether it is or not? And
> also if I
> > can't get access to any SGI machines, then is there any other
> software which
> > is LES-friendly as I am looking for a software specifically to
> look at LES
> > results?
> >
> > Thank you for your help.
> > Kailee
> >
> >
> > On 1/25/07, Carlos Simmerling <carlos.csb.sunysb.edu
> <mailto:carlos.csb.sunysb.edu>> wrote:
> > > are you using an SGI? it requires an SGI computer.
> > >
> > > Kailee wrote:
> > >
> > > > Dear AMBER community,
> > > >
> > > > I encountered a problem when I tried to compile Moilview,
> the version
> > > > I used is the one comes with AMBER8 disk. And I don't know
> the CPU
> > > > type, so I typed HINV command, however, the command is not
> found.
> > > > Therefore I tried to uncomment all the options one by one, but I
> > > > always got an error message like the following:
> > > >
> > > > ###################################################
> > > > f77 -u -O -OPT:Olimit=4000 -mips4 -r10000 -c main.f
> > > > f77: unrecognized option `-r10000'
> > > > f771: error: invalid option argument `-OPT:Olimit=4000'
> > > > f771: error: invalid option `ips4'
> > > > make: *** [ main.o] Error 1
> > > > ###################################################
> > > >
> > > > Can anyone please suggest why this happening and how to
> solve this?
> > > >
> > > > Thank you very much!
> > > > With my best wishes!
> > > >
> > > > Kailee
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Received on Sun Jan 28 2007 - 06:07:22 PST
