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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:
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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CLUSTER(1)						      General Commands Manual							CLUSTER(1)

cluster - find clusters in a graph and augment the graph with this information. SYNOPSIS
cluster [-v?] [ -Ck ] [ -ck ] [ -o outfile ] [ files ] DESCRIPTION
cluster takes as input a graph in DOT format, finds node clusters and augments the graph with this information. The clusters are specified by the "cluster" attribute attached to nodes; cluster values are non-negative integers. cluster attempts to maximize the modularity of the clustering. If the edge attribute "weight" is defined, this will be used in computing the clustering. OPTIONS
The following options are supported: -Ck specifies a targeted number of clusters that should be generated. The specified number k is only a suggestion and may not be real- isable. If k == 0, the default, the number of clusters that approximately optimizes the modularity is returned. -ck specifies clustering method. If k == 0, the default, the modularity will be used. If k == 1 modularity quality will be used. -ooutfile Specifies that output should go into the file outfile. By default, stdout is used. -v Verbose mode. EXAMPLES
Applying cluster to the following graph, graph { 1--2 [weight=10.] 2--3 [weight=1] 3--4 [weight=10.] 4--5 [weight=10] 5--6 [weight=10] 3--6 [weight=0.1] 4--6 [weight=10.] } gives graph { node [cluster="-1"]; 1 [cluster=1]; 2 [cluster=1]; 3 [cluster=2]; 4 [cluster=2]; 5 [cluster=2]; 6 [cluster=2]; 1 -- 2 [weight="10."]; 2 -- 3 [weight=1]; 3 -- 4 [weight="10."]; 4 -- 5 [weight=10]; 5 -- 6 [weight=10]; 3 -- 6 [weight="0.1"]; 4 -- 6 [weight="10."]; } AUTHOR
Yifan Hu <> SEE ALSO
gvmap(1) Blondel, V.D., Guillaume, J.L., Lambiotte, R., Lefebvre, E.: Fast unfolding of communities in large networks. Journal of Statistical Mechanics: Theory and Experiment (2008), P10008. 3 March 2011 CLUSTER(1)

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