[Pw_forum] iotk_scan_dat & dos.x

[Paul M. Grant]

Hi Andrea,

Yeah, I've done a fair amount of nscf post-processing with the PWscf
package...DOS, band structures, Fermi surfaces, e-p coupling...without
problems, but all on metals so far.  This is my first "homework problem" on
a semiconductor (outside the examples, which all ran fine...at least four or
five months ago).  Let me investigate what's going on with my silicon
exercise a little more and I'll get back.

Paul M. Grant, PhD
Principal, W2AGZ Technologies
Visiting Scholar, Applied Physics, Stanford University
EPRI Science Fellow (Retired)
IBM Research Staff Member Emeritus
w2agz at pacbell.net
http://www.w2agz.com
 
 

-----Original Message-----
From: pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org] On Behalf
Of Andrea Ferretti
Sent: Friday, April 27, 2007 8:36 AM
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] iotk_scan_dat & dos.x


Hi Paul,

I tried locally on my machine with a silicon test case and for me it 
works... as you are saying, it seems therefore it is a machine dependent 
stuff...

did you try also other postprocessing or nscf calculations ??

could you please also post the make.sys file generated during 
configuration ?? (and eventually the config.log file)

andrea


On Thu, 26 Apr 2007, Paul M. Grant wrote:

> I'm having trouble doing something simple (again).the density of states of
> silicon.  I keep getting during execution of dos.x the following error
(the
> scf calculation is fine):
> 
>  
> 
> # UNRECOVERABLE ERROR (ierr=1)
> # ERROR IN: iotk_scan_dat (iotk_dat.spp:688)
> # CVS Revision: 1.3
> 
>  
> Drilling and surfing around the forum archives, it seems this type of
error
> may be associated with multiple MB processors (I have a dual Xeon board)
or
> clusters.
> 
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