[Pw_forum] Debian Platforms and Fortran Compilers - [PH termination/restart]

[Axel Kohlmeyer]

On Wed, 7 Nov 2007, Paul M. Grant wrote:

PG> Kostya, I downloaded the PH directory on O-sesame...in which source file is
PG> this "escape" implemented?  I had a quick look in phonon.f90 and couldn't
PG> find anything obvious therein.

paul,
this is a generic functionality that many QE executables use.
you'll find the implementation (as well as many shared features) in 
the Modules subdirectory, in this case in check_stop.f90
(too obvious probably). ;-)

happy diwali from bangalore,
    axel.

PG> 
PG> Paul M. Grant, PhD
PG> Principal, W2AGZ Technologies
PG> Visiting Scholar, Applied Physics, Stanford University
PG> EPRI Science Fellow (Retired)
PG> IBM Research Staff Member Emeritus
PG> w2agz at pacbell.net
PG> http://www.w2agz.com
PG>  
PG>  
PG> 
PG> 
PG> -----Original Message-----
PG> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
PG> Behalf Of Konstantin Kudin
PG> Sent: Tuesday, November 06, 2007 8:17 AM
PG> To: PWSCF Forum
PG> Subject: Re: [Pw_forum] Debian Platforms and Fortran Compilers - [PH
PG> termination/restart]
PG> 
PG> 
PG> --- Paolo Giannozzi <giannozz at nest.sns.it> wrote:
PG> 
PG> > On Nov 2, 2007, at 21:54 , Paul M. Grant wrote:
PG> >
PG> > > Sidebar for the ph.x developers:  It would be neat to be able to  
PG> > > set a “suspension” mid-execution flag to be able to resume a long  
PG> > > run later (maybe even on another computer).
PG> > unfortunately nobody has been working for a long time on the  
PG> > optimization and
PG> > ease-of-use of the phonon code, and it shows...
PG> 
PG>  Actually, there is exactly and option for this, at least, in the CVS
PG> version. Just create a file $prefix.EXIT in the working directory, and
PG> the PH code will stop at the earliest possible point. Then set
PG> 'recover=.true.' or something in the follow up input, and the run will
PG> be resumed ...
PG> 
PG>  Kostya 
PG> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.