[Wien] Right Track

[Jorissen Kevin]

Unless you're using rkmax 25, this is impossible.  Are the jobs still running on the pc's?  The lock-files indicate to the 'main program' running on your main node that the machine indicated by the lock-file is working, and will prevent it from giving it other tasks.  So, if your job on that node actually finished (probably after quite a shoft time!), but failed to tell that to the main node (and wipe away this lock file), it's possible that your main program will hang forever, waiting for nodes to become available for doing the remaining k-points ...
If so, kill the job, and start run_lapw again.  If it happens again, you may have some sort of configuration problem somewhere ...

Kevin.
PS  Why exactly did you increase NPT and NPT00?

-----Original Message-----
From:	mkhsabra at aec.org.sy [mailto:mkhsabra at aec.org.sy]
Sent:	Mon 4/19/2004 5:49 PM
To:	wien at theochem.tuwien.ac.at
Cc:	
Subject:	[Wien] Right Track



 Dear Wien users;

I have got 8 atoms in the unit cell 4 C and 4 H. Therefore, I increased the 
NPT=1581 and NPT00=380. Also I have got three 2.4 Ghz P4 Pc's. I started the 
job on 5/4/2004 which still running up till now. In the working  Dir. I have 
got the files .lock_hostname1 .lock_hostname2  .lock_hostname2 .machines ....

Am I on the right track to use wien in parallel.

would you please help me 

thank you all

M. K. Sabra


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