g03 problems on rocks 5.3 with sge queue.


 
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Old 02-02-2010
g03 problems on rocks 5.3 with sge queue.

Dear all,

I'm a new guy doing some quntum calculation with gaussian on my rocks clusters. Recently, my cluster upgraded to rocks 5.3, but something strange happened. Everything goes correct except a serious problem. when I summit my gaussian job with script to sge queue, the job does run, but with the following error message:
Code:
liuzhencc  /opt/gridengine/default/spool/compute-0-10/job_scripts/12: line 19: g03: command not found

However, the command "g03 gaussian.gjf" runs both on front node and all the computing nodes.

Actually, I reinstalled my cluster, but the problem still there.


Anyone could give some suggestions? Thanks!

PS: Before this upgration, everything goes correct.

Last edited by vbe; 02-03-2010 at 05:15 AM.. Reason: rm bad tags, added code tags
 
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clm order(1)							  USER COMMANDS 						      clm order(1)

  NAME
      clm order - reorder clusterings conformal to inclusion structure

      clmorder	is  not  in  actual  fact  a program. This manual page documents the behaviour and options of the clm program when invoked in mode
      order. The options -h, --apropos, --version, -set, --nop are accessible in all clm modes. They are described in the clm manual page.

  SYNOPSIS
      clm order [-prefix <string> (file multiplex prefix)] [-o <fname> (concatenated output in single file)] <cluster|stack>+

  DESCRIPTION
      Given a set of input clusterings clm order first transform it into a stack of strictly nesting clusterings. It does this by splitting  clus-
      ters  where  necessary.  It then reorders the coarsest (i.e. level-one) clustering, from large to small clusters. After that it reorders the
      second coarsest clustering conformally such that the first batch among its reordered clusters covers the level-one largest cluster, the sec-
      ond batch covers the level-one second largest cluster, and so on. Within these constraints, each batch of second-level clusters (correspond-
      ing to a single first-level cluster) is again ordered from larger to smaller clusters. This process is applied  recursively  throughout  the
      entire stack of input clusters.

      The input can be specified in multiple files, and a single file may contain multiple clusterings. The output is by default written as a con-
      catenation of matrix files, the so-called stack format. Use the -o option to specify the output file. The stacked format can be converted to
      Newick format using mcxdump(1). The output can be written to multiple files, one for each projected clustering, by using the -prefix option.
      By example, -prefix P leads to output in files named P1, P2, ..PN, where N is the number of clusters in the input,  P1  is  the  most  fine-
      grained ordered clustering, and PN is the coarsest clustering.

  OPTIONS
      -prefix (<string>)
      -o (<fname>)
	As decribed above.

  AUTHOR
      Stijn van Dongen.

  SEE ALSO
      mclfamily(7) for an overview of all the documentation and the utilities in the mcl family.

  clm order 12-068						      8 Mar 2012							clm order(1)