Hi Lora,
I was wondering if you could resend the message that Troels is talking
about, as it missed the mailing list. Troels has added a link to
http://thread.gmane.org/gmane.science.nmr.relax.user/1821 to link to
the information you provided, but unfortunately it is absent from the
thread and archives. To keep the thread structure intact, could you
copy and paste the text and then reply to the original email? That
will preserve the thread structure in the above link. Having this
information in the mail archives would be greatly appreciated.
Cheers!
Edward
On 29 May 2015 at 18:55, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:
Hi Lora.
Thank you for your detailed message.
I believe this will help alot of other people, including me. :-)
I took the liberty to write a little post about on the relax wiki.
http://wiki.nmr-relax.com/OpenMPI#Setting_up_relax_on_super_computer_Beagle2
I hope it comes of use for someone.
Thanks again!
Best
Troels
2015-05-29 11:46 GMT+02:00 Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>:
Dear Lora.
I am interested in achieving the same thing on our small local computer
cluster.
I have read from
http://beagle.ci.uchicago.edu/using-beagle/
That you use Torque to submit jobs.
Have you succeeded in getting this to work with relax?
Best
Troels
2015-05-15 19:52 GMT+02:00 Lora Picton <lkpicton@xxxxxxxxxxxx>:
Hi,
I'm working with the administrators of the super computer on UChicago's
campus (Beagle2) to get relax running on their system.
Because of the way that their system is set up, I will need to have my
data and script files in one directory and submit my job and instructions
to a queue. I can't use the gui version to implement the full analysis.
I have two questions about doing this.
1. Can I use the GUI to set everything up and then instead of starting
it, save the scripts so that I can direct them to be started in the queue,
or do I have to modify each script with a text editor?
2. When starting the full analysis with a script UI mode (which I need to
do to submit the job), the manual says you need 6 scripts, one for each
diffusion model. Does this mean that I will need to submit multiple jobs
to
a queue, one for each model? If yes, would the first 5 need to be done
before the "final" is used? Or would it be possible to direct all of them
to occur in one large script?
Thanks for any input you might have!
Lora Picton
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-users mailing list
relax-users@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-users
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-users mailing list
relax-users@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-users
Re: using relax on supercomputer