[Wien] parallel under sge environment

[zhaoyh]

Hello Prof. Blaha and Marks,

The submitting script and the error message have been attached. 

The "host" and "hosts" pe are not usable right now. The only one I can
use is mpi.

Thanks for your help.

Regards,

yonghong
On Tue, 2010-04-20 at 16:33 +0200, Peter Blaha wrote:
> Still not clear:
> 
> > "I cannot use ssh" means that this supercomputer doesn't allow users to
> > log in to the compute node directly. I have consulted the admin already.
> > He just ask me to use sge script to submit job. The attachment is the
> 
> It is "normal" that you cannot ssh to the compute node FROM the login node.
> So you will never be able to type in
>       ssh nodexxx
> but this is NOT necessary anyway!
> 
> Have you tried to adapt one of the job scripts at the faq-page of www.wien2k.at
> and after creation of the machines file, put    run_lapw -p into the sge script ??
> 
> It is not helpful to show the PWSCF script, show the WIEN2k script you have tried.
> Anyway from your script I can see:
> 
> #$ -pe mpi 160      # 4 slots (allocated among the available hosts)
> ##$ -pe host 6         # 6 slots (allocated on a single host max=8)
> ##$ -pe hosts 16       # 8 slots per host. (numbers of cores should be a multiple of 8)
> 
> Most likely you need to uncomment the last line (and comment the first one), if you do not
> want to use mpi. At least it indicates that you have different "pe" environments available.
> 
> Then you need some lines, which generates   .machines  from the nodes assigned to you.
> (See templates mentioned above, or you said, that you already have that)
> 
> 
> mpirun -np 160  pwscf -npool 16 < input > out
> 
> Instead of that line, you put     run_lapw -p
> 
> 
> My experience says, that users who cannot handle k-parallelism, will not be
> able to run mpi-parallel, because this is much more difficult.
> 
> 
> 

-------------- next part --------------
 LAPW0 END
Warning: Permanently added 'r105-n15,10.225.105.15' (RSA) to the list of known hosts.
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Warning: Permanently added 'r108-n84,10.225.108.84' (RSA) to the list of known hosts.
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
cat: No match.
 LAPW0 END
Warning: Permanently added 'r103-n2,10.225.103.2' (RSA) to the list of known hosts.
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
Warning: Permanently added 'r110-n59,10.225.110.59' (RSA) to the list of known hosts.
Permission denied (publickey,gssapi-with-mic,keyboard-interactive).
cat: No match.
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