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[zahra hooshmand <z.hooshmand@gmail.com>]

Besides

I ve run GW calculations with sequential versions for some other systems in this way, and I didn't have any problem!

I just did what I mentioned in my last email.

Regards

Zahra

On Fri, Feb 5, 2010 at 6:46 PM, zahra hooshmand <z.hooshmand@gmail.com> wrote:

Dear Martin,

I have just changed the necessary output files in each step to input files for next step.

isn't it true?

Regards

Zahra

2010/2/5 Martin Häufel <martin.haeufel@googlemail.com>

Dear Zahra,

do you connect the three(four) steps of the GW calculation with (prtden, getden,) getkss, and getscr?

You can follow the first tutorial on GW on the ABINIT website:

http://www.abinit.org/documentation/helpfiles/for-v5.8/tutorial/lesson_gw1.html

Kind regards,

Martin Haeufel
TU Munich, WSI(T33)
www.wsi.tum.de

On 05.02.2010 10:25, zahra hooshmand wrote:

Dear abinit users,
attached is my input and job files for GW calculations running.
Please let me know what should I do to solve my problem?
Regards
Zahra

---------- Forwarded message ----------
From: *zahra hooshmand* <z.hooshmand@gmail.com

<mailto:z.hooshmand@gmail.com>>
Date: Fri, Feb 5, 2010 at 12:53 PM
Subject: Re: [abinit-forum] it is vital to get your help! Please read it
soon, please!

To: forum@abinit.org <mailto:forum@abinit.org>


Dear Martin,
attached is my input files and job files, please let me know what should
I do soon, please!
besides, can I run Gw calculations for such a system in a cluster with
100 core in one day?
I really need your help!
waiting you reply unpatiently!
Zahra

2010/2/5 Martin Häufel <martin.haeufel@googlemail.com

<mailto:martin.haeufel@googlemail.com>>

   Dear Zahra,

   could you please post your input and output files, as well as the
   job script for the parallel mpi run?

   For now, you could try setting awtr 0.

   Best regards,

   Martin Haeufel
   TU Munich, WSI (T33)

   www.wsi.tum.de <http://www.wsi.tum.de/>

--
Regards
Zahra Hooshmand

-- 
Regards
Zahra Hooshmand