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Kimik2 does '''not have graphical''' programs installed (i.e. molden, GaussView,...). You should install them in your PC or use the ones available on Kimik.
Kimik2 does '''not have graphical''' programs installed (i.e. molden, GaussView,...). You should install them in your PC or use the ones available on Kimik.
* [[QUEUES for CARLES BO group]]
* [[QUEUES for FELIU MASERAS group]]




* [[QUEUES for CARLES BO group]]
== Kimik "How to ..." ==
* [http://aliga.iciq.es/wiki/documents/Welcome-Manual-ICIQ-HPC-Facility_ENG.pdf Manual for beginners]
 
* '''How to connect to kimik2'''
 
From a linux PC:
 
    ssh -X kimik2.iciq.es
 
from outside ICIQ look at [[Connecting from Outside]]
 
* '''do not exceed your disk quota'''
 
Every user has 23 GB of disk space in his $HOME (same disk for kimik and kimik2). When your files will exceed 22GB a notice e-mail will be sent to your ICIQ e-mail. You will still be able to work "normally" until you reach 23GB. At this point you wont be able to save any more data, your calculations will die....
 
To check the free/used space look at: [[how to check the disk space used]]
 
To liberate space: delete all un-useful files and use [[Gzip]] to compress the other ones
 
* '''view the status of your jobs'''
      Use the command '''qstat''' to give a list of jobs running on the system.
      For more information on the jobs, use the -f key.
      For information on a specific user, use the key -u ''username''.
 
* ''' kill jobs'''
      Use the command qdel and the job identifier.
 
* '''move calculations to hold and back'''
 
To move a waiting calculation to hold:
 
qhold JOBID
 
To put directly a job into hold:
 
qs -h -u submitingfile.sub


To move it back to the queue:


* [[QUEUES for FELIU MASERAS group]]
qalter -h U JOBID

Latest revision as of 11:26, 18 March 2022

go back to Main_Page, Computational Resources, Clusters, Local Clusters


Kimik2 is a Cluster with different type of nodes (Kimik's Quads, Xeon X3360 and 2xXeon E5530), some of them belonging to Feliu Maseras group and others belonging to Carles Bo group.

The disk is shared with Kimik, and the commands described for Kimik are equivalent in both machines.

Kimik2 does not have graphical programs installed (i.e. molden, GaussView,...). You should install them in your PC or use the ones available on Kimik.


Kimik "How to ..."[edit]

  • How to connect to kimik2

From a linux PC:

    ssh -X kimik2.iciq.es

from outside ICIQ look at Connecting from Outside

  • do not exceed your disk quota

Every user has 23 GB of disk space in his $HOME (same disk for kimik and kimik2). When your files will exceed 22GB a notice e-mail will be sent to your ICIQ e-mail. You will still be able to work "normally" until you reach 23GB. At this point you wont be able to save any more data, your calculations will die....

To check the free/used space look at: how to check the disk space used

To liberate space: delete all un-useful files and use Gzip to compress the other ones

  • view the status of your jobs
     Use the command qstat to give a list of jobs running on the system.
     For more information on the jobs, use the -f key.
     For information on a specific user, use the key -u username.
  • kill jobs
     Use the command qdel and the job identifier.
  • move calculations to hold and back

To move a waiting calculation to hold:

qhold JOBID

To put directly a job into hold:

qs -h -u submitingfile.sub

To move it back to the queue:

qalter -h U JOBID