Unix Batch command, and running jobs in queues.


 
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Old 10-21-2009
Unix Batch command, and running jobs in queues.

Hello all, I have a quick question. I work in a computational science laboratory, and we recently got a few mac pros to do molecular optimizations on. However, on our normal supercomputers, there are queue systems, mainly PBS.

Anyway, the macs obviously don't have PBS, but I've read about the "batch" and "at" commands in unix.

What I want to do is create a batch file, with multiple commands in it (basically multiple job submit commands), and I want the first one to run immediately, and the second one to run as soon as the first one finishes.

I know that there are different queues used with this command. Accessed by the "-q x" where x is the queue you want. So technically I want to have two different queues cause I want two different jobs to run at the same time.

So I've made a batch file containing four lines that submit four different jobs, like so...

g09 model1.txt &
g09 model2.txt &
g09 model3.txt &
g09 model4.txt &
CTRL-d

However, when I submit it, I don't see anything running when I use the top command, like I do when I just submit the job without using batch. The command I used to submit the batch file was.

batch -q b -f batch1.txt

And I'm in the folder that "batch1.txt" is in. What am I doing wrong?

Thanks in advance...
 
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GABEDIT(1)							    User Manual 							GABEDIT(1)

NAME
gabedit - graphical user interface (GUI) to computational chemistry packages SYNOPSIS
gabedit [filename] DESCRIPTION
gabedit is a graphical user interface (GUI) to computational chemistry (Ab Initio) packages like: GAMESS-US, Gaussian, Molcas, Molpro, MPQC, Q-Chem, that can help to generate keywords and options, molecule specifications and the input sections for even the most advanced calculation types. Included is an advanced "Molecule Builder" to rapidly sketch in molecules and examine them in three dimensions. It can further display a variety calculation results (molecular orbitals; surfaces from the electron density, electrostatic potential, NMR shielding density; IR and Raman computed spectra; ...). Most major molecular file formats are supported. Exporting of a variety of file formats, like Poyray, BMP, JPEG, PNG, PPM and PS, is available. Even a series of pictures for animation (vibration, geometry convergence, rotation, contours, planes color-coded) can be automatically generated. OPTIONS
There are no command line options to use. SEE ALSO
mpqc(1) Documentation (manual and tutorials) is available online at the projects homepage at http://gabedit.sourceforge.net. AUTHORS
Abdul-Rahman Allouche <allouchear@users.sourceforge.net> Program author. Daniel Leidert <daniel.leidert@wgdd.de> Man-page author for the Debian system. gabedit 01/2009 GABEDIT(1)