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New page: go back to Main_Page, Computational Resources, Clusters, Local Clusters == QUEUES:== * c4m8.q (18 NODES) MACHINE TYPE 1 x Xeon X3360 2,83Ghz 2x6Mb...
 
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go back to [[Main_Page]], [[Computational Resources]], [[Clusters]], [[Local Clusters]]
go back to [[Main_Page]], [[Computational Resources]], [[Clusters]], [[Local Clusters]]


== QUEUES:==


* c4m8.q (18 NODES)
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.
        MACHINE TYPE
                1 x Xeon X3360 2,83Ghz 2x6Mb cache (4 cores)
The disk is '''shared''' with [[Kimik]], and the commands described for Kimik are equivalent in both machines.
                4x2GB RAM DDR2 800Mhz (8GB mem)
        PE
                c4m8_mpi
                c4m8_smp


* cq4m4.q (26 NODES)
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.
        MACHINE TYPE
                1 x  Core2 Quad Q6600 2,4GHz  8M cache (4 cores)
                4x1GB DDR2 667MHz (4GB mem)
        PE
                cq4m4_mpi
                cq4m4_smp


* [[QUEUES for CARLES BO group]]


* c8m24.q (15 NODES)
* [[QUEUES for FELIU MASERAS group]]
        MACHINE TYPE
                2 x Xeon E5530 2.4GHz 8M cache (8 cores)
                6x4GB RAM DDR3 1333MHz ECC Registered (24GB mem)
        PE
                c8m24_mpi
                c8m24_smp




== SENDING CALCULATIONS: ==
== Kimik "How to ..." ==
* [http://aliga.iciq.es/wiki/documents/Welcome-Manual-ICIQ-HPC-Facility_ENG.pdf Manual for beginners]


        qs TYPE_OF_CALCULATION inmput.file
* '''How to connect to kimik2'''


where type of calculation can be:
From a linux PC:


        g09.c8m24 (8 cores smp pe)
    ssh -X kimik2.iciq.es
        g09.cq4m4 (4 cores smp pe)     
        g09.c4m8 (4 cores smp pe)


        g03.cq4m4 (4 cores smp pe)
from outside ICIQ look at [[Connecting from Outside]]
        g03.c4m8 (4 cores smp pe)


* '''do not exceed your disk quota'''


You can run 8 jobs at the same time.
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]]


NOTE: remember to put the correct
To liberate space: delete all un-useful files and use [[Gzip]] to compress the other ones


        %nproc=...
* '''view the status of your jobs'''
        %mem=...
      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''.


parameters in your input file according to the TYPE_OF_CALCULATION.
* ''' 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

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