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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PG_UPGRADECLUSTER(8)					 Debian PostgreSQL infrastructure				      PG_UPGRADECLUSTER(8)

NAME
pg_upgradecluster - upgrade an existing PostgreSQL cluster to a new major version. SYNOPSIS
pg_upgradecluster [-v newversion] version name [newdatadir] DESCRIPTION
pg_upgradecluster upgrades an existing PostgreSQL server cluster (i. e. a collection of databases served by a postmaster instance) to a new version specified by newversion (default: latest available version). The configuration files of the old version are copied to the new cluster. The cluster of the old version will be configured to use a previously unused port since the upgraded one will use the original port. The old cluster is not automatically removed. After upgrading, please verify that the new cluster indeed works as expected; if so, you should remove the old cluster with pg_dropcluster(8). Please note that the old cluster is set to "manual" startup mode, in order to avoid inadvertently changing it; this means that it will not be started automatically on system boot, and you have to use pg_ctlcluster(8) to start/stop it. See section "STARTUP CONTROL" in pg_createcluster(8) for details. The newdatadir argument can be used to specify a non-default data directory of the upgraded cluster. It is passed to pg_createcluster. If not specified, this defaults to /var/lib/postgresql/version/name. Please note that this program cannot upgrade clusters which use tablespaces. If you use those, you have to upgrade manually. OPTIONS
-v newversion Set the version to upgrade to (default: latest available). --logfile filel Set a custom log file path for the upgraded database cluster. --locale=locale Set the default locale for the upgraded database cluster. If this option is not specified, the locale is inherited from the old cluster. --lc-collate=locale --lc-ctype=locale --lc-messages=locale --lc-monetary=locale --lc-numeric=locale --lc-time=locale Like --locale, but only sets the locale in the specified category. HOOK SCRIPTS
Some PostgreSQL extensions like PostGIS need metadata in auxiliary tables which must not be upgraded from the old version, but rather initialized for the new version before copying the table data. For this purpose, extensions (as well as administrators, of course) can drop upgrade hook scripts into /etc/postgresql-common/pg_upgradecluster.d/. Script file names must consist entirely of upper and lower case letters, digits, underscores, and hyphens; in particular, dots (i. e. file extensions) are not allowed. Scripts in that directory will be called with the following arguments: <old version> <cluster name> <new version> <phase> Phases: init A virgin cluster of version new version has been created, i. e. this new cluster will already have template1, but no user databases. Please note that you should not create tables in this phase, since they will be overwritten by the dump/restore operation. finish All data from the old version cluster has been dumped/reloaded into the new one. The old cluster still exists. The scripts are called as the user who owns the database. SEE ALSO
pg_createcluster(8), pg_dropcluster(8), pg_lsclusters(1), pg_wrapper(1) AUTHOR
Martin Pitt <mpitt@debian.org> Debian 2012-10-08 PG_UPGRADECLUSTER(8)