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Simple instructions about how to use the CCPNGrid Portal for submitting CCPN Projects and carry out ARIA structure calculations


So you need help...

OK, the CCPNGrid Portal is pretty simple so far (indeed, it's a Prototype!), but it must do the job.

First, compress your CCPN Project files in a ZIP or TGZ format.
Then, you can upload your file.

(If you just want to know how it works and you don't have a CCPN Project file, you can get this one, as an example from ARIA)

NB: your file will be checked and if all right, it will return you a page with some parameters to be selected. However, such process may easily take a couple of minutes. Be patient! We are making it work first, then we'll make it better (and faster).

Once you've done your choices, submit your job and relax. If all run fine, it will likely take some hours (maybe days if the cluster is very busy!). Meanwhile you can follow the process of your job at the Status Page. Once finished, go there and download your Results File.

But it failed :-(... OK, it is expected to happen sometimes. Remember, it's a Prototype Portal! However, at Status Page, you can View the log file and have an idea why your job stopped.

If you don't see anything wrong with your submitting files, then Try to Rerun you job. ARIA is so nice that it keeps a cache, resuming from where your job stopped and so it may not need to re-calculate all over again.

By the way, whatever happens to your job you'll be notified via e-mail.

The Portal uses ARIA via CONDOR to manage the jobs and for some yet unknown reason some jobs stops inexplicably.

Although incipient, there's a manual about CCPNGrid case you want to know more about it.

So, be patient and give it a try.

Good Luck!

ToDo:
  • Implement more powerful validation tools
  • Improve output results and user feedback

More help? Don't hesitate: Administrator


Last visit: 2012/02/05 08:00:29.106 GMT
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