[Pw_forum] restart problem (fwd)

[Bhagawan Sahu]

Dear pwscfusers,

I forgot to tell you that the machine where the latest code (v.3.2) is 
compiled is a linux cluster running intel/9 fortran compiler and 
MKL/8.1.1 library.

Also in the /tmp directory, the subdirctory file.save is created and the 
data files are written on to it.

Sahu

---------- Forwarded message ----------
Date: Sun, 12 Aug 2007 11:18:55 -0500 (CDT)
From: Bhagawan Sahu <brsahu at physics.utexas.edu>
Reply-To: PWSCF Forum <pw_forum at pwscf.org>
To: pw_forum at pwscf.org
Subject: [Pw_forum] restart problem


Dear pwscfusers,

I am getting the following  error in a SCF restart run.

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from seqopn : error #         1
     can't open a connected unit
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

     Forces acting on atoms (Ry/au):


 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from seqopn : error #         1
     can't open a connected unit
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from seqopn : error #         1
     can't open a connected unit
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from seqopn : error #         1
     can't open a connected unit
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

This happens when I restart the ionic relaxation calculation from  a 
non-converged job 
(did not change anything in the input except  restart_mode= 'restart'). 

The non-converged job had

&control
    calculation='relax'
    restart_mode='from_scratch'

which was changed to

&control
    calculation='relax'
    restart_mode='restart',

for restarting from the previous run.

Is there a bug in the restart routine?  Pl. note the same code compiled on 
POWER5 (IBM) machine do not have such restart problem.

Sahu

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