[Wien] Right Track

[mkhsabra at aec.org.sy]

  Dear Prof. Kevin;

Thank you very much for your reply. The job still running and I check the 
files *.output1_1 *.output1_2 *.output1_3 *.energy_1 *.energy_2 *.energy_3 and 
*.vector_1  *.vector_2 *.vector_3.Where they are updated frequantly about 3 
hours but not at the same time. 

I inceased the NPT and NPT00 according to an advise from the maling list that 
when you have H atom, and also because the warning in the file *.outputst due 
to lstart. 

thank again

M. K. Sabra

> 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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