Thanks for your reply! It works! Just one more question, I tried to use w2web to run parallel calculations, and in the Configuration, I filled in:<br><br>pbs=cat ~/head > w2webjob;cat %f >> w2webjob;chmod +x w2webjob;qsub w2webjob<br>
<br>for execution types, the resulting w2webjob will be something like:<br><br>#PBS -l nodes=4,cput=24:00:00,walltime=24:00:00<br>#PBS -me -M <a href="mailto:200210qb@gmail.com">200210qb@gmail.com</a><br>#!/bin/sh<br>date<br>
cd /home/nanoenergy/a/qiub/four<br>run_lapw -p -ec 0.0001 -cc 0.001 -NI >/home/nanoenergy/a/qiub/four/STDOUT 2>&1<br><br>rm /home/nanoenergy/a/qiub/four/.command.333364.25124<br><br>However, I'm using tcsh shell, when I run this jobscript it will complain that "Ambiguous output redirect." seemingly due to different syntax between bash and tcsh. If I remove ">/home/nanoenergy/a/qiub/four/STDOUT 2>&1" manually then it can run but I cannot get the STDOUT file. Just want to ask whether if it is possible to fix this problem by modifying the lines describing execution types. Thanks a lot!<br>
<br>Sincerely,<br>Bo<br><br><div class="gmail_quote">On Thu, Mar 27, 2008 at 2:31 PM, Stefaan Cottenier <<a href="mailto:stefaan.cottenier@fys.kuleuven.be" target="_blank">stefaan.cottenier@fys.kuleuven.be</a>> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><br>
You probably defined your scratch variable such that on your first<br>
machine it contains<br>
<div><br>
/home/nanoenergy_1/a/qiub/scratch/<br>
<br>
</div>and on your second machine<br>
<br>
/home/nanoenergy_2/a/qiub/scratch/<br>
<br>
etc. And these directories are not mounted on all machines in your<br>
setup. It is easier to define SCRATCH to be the same on all machines,<br>
e.g. put it to /tmp. What comes in $SCRATCH does not need to be known by<br>
other machines.<br>
<br>
Stefaan<br>
<div><div></div><div><br>
<br>
Bo Qiu wrote:<br>
> Dear Users and Developlers,<br>
><br>
> A few days ago I compiled series version wien2k_08 on a dual core Xeon<br>
> em64t cluster with tcsh shell successfully, however, when I tried to<br>
> run parallel version, it cannot work if I use w2web to run parallel<br>
> calculations automatically. So I tried to run it directly in the case<br>
> folder. What I did is just:<br>
><br>
> cd ~/case<br>
> run_lapw -p -ec 0.0001<br>
><br>
> It ran for a few seconds and I read from the screen:<br>
><br>
> LAPW0 END<br>
> LAPW1 - Error<br>
> LAPW1 - Error<br>
> LAPW1 - Error<br>
> LAPW1 - Error<br>
> LAPW1 - Error<br>
><br>
> > stop error<br>
><br>
> then I checked the lapw1_1.error:<br>
><br>
> 'INILPW' - can't open unit:<br>
> 10<br>
> 'INILPW' - filename:<br>
> /home/nanoenergy_1/a/qiub/scratch/four.vector_1<br>
> 'INILPW' - status: unknown form:<br>
> unformatted<br>
> 'LAPW1' - INILPW aborted unsuccessfully.<br>
><br>
> for lapw1_2.error to lapw1_5.error, they are basically the same<br>
><br>
> 'INILPW' - can't open unit:<br>
> 10<br>
> 'INILPW' - filename:<br>
> /home/nanoenergy_5/a/qiub/scratch/four.vector_5<br>
> 'INILPW' - status: unknown form:<br>
> unformatted<br>
> 'LAPW1' - INILPW aborted unsuccessfully.<br>
><br>
> And I checked and found there was no folder named as nanoenergy_5 in<br>
> /home/ folder and there was nothing produced in /scratch.<br>
><br>
> Could you please help me with this? Thanks!<br>
><br>
> Sincerely,<br>
> Bo<br>
</div></div>> ------------------------------------------------------------------------<br>
><br>
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</blockquote></div><br><br clear="all"><br>-- <br>Thanks and Best Wishes.<br><br>Sincerely yours,<br>Bo Qiu<br><a href="http://web.ics.purdue.edu/%7Eqiub/homepage/" target="_blank">http://web.ics.purdue.edu/~qiub/homepage/</a>