Kimik's Quads: Difference between revisions

Revision as of 14:44, 13 February 2008

Hardware:

Processor: Core 2 Quad 2.40 Ghz
RAM:       4 Gb
scratch:   120 Gb

Queue name:

nanYar.quad

Nodes availables:

There are right now 43 nodes available.

Kind of jobs:

By now, please send ONLY Gaussian's jobs.

Ask for:

NPROC=4

At the moment, to submit calculations:

 qs [number_of_nodes] [queue_type] job_type script_to_submit_or_input_file.in

e.g.

qs 1 q g03 Test.in

In the future, for more slots ask for multiple of 4.

If you feel that something its wrong or can be improved please add an entry here or at forums.

@@ Line 21: / Line 21: @@
-At the moment, to submit calculations,according to the information that we have, you should do some things:
+At the moment, to submit calculations:
 *Add '''%nproc=4''' in the Gaussian input file
-*Create an script to submit the job
+*To sumbit the job, type:
-  #!/bin/bash
-  #$ -N Test.in
-  #$ -cwd
-  #$ -masterq kimik133.q
-  #$ -pe nanYar.quad 1
-  export LINDA_PATH=/usr/local/g03.C02/g03/linda7.1
-   export g03root=/usr/local/g03.C02
+   qs [number_of_nodes] [queue_type] job_type script_to_submit_or_input_file.in
-  . $g03root/g03/bsd/g03.profile
-  export PATH=$PATH:$LINDA_PATH/intel-linux2.4/bin
-  export LD_LIBRARY_PATH=/usr/local/g03.C02/g03
-  export GAUSS_SCRDIR=$TMPDIR
-  CONF_DIR="/usr/local/scriptConf";
-  SCREFERENCE="Test.in";
-  SCRIPT="Test.in";
-  OUTPUT="Test.out";
-  GAUSS_PAR_HEAD="/usr/local/scriptConf/gaussParHead";
-  g03 < $SCRIPT > $OUTPUT
-Where '''Test''' is you input file's name and '''kimik133.q''' is the machine where you are submiting your job. In this case, the name of the script is '''Test.in.sub'''
-To sumbit the job, type:
-<s> qsub Test.in.sub </s>
-use:
-qs [number_of_nodes] [queue_type] job_type script_to_submit_or_input_file.in
 e.g.