Skip to Content.
Sympa Menu

forum - Re: Fwd: [abinit-forum] it is vital to get your help! Please read it soon, please!

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: Fwd: [abinit-forum] it is vital to get your help! Please read it soon, please!


Chronological Thread 
  • From: Martin Häufel <martin.haeufel@googlemail.com>
  • To: forum@abinit.org
  • Subject: Re: Fwd: [abinit-forum] it is vital to get your help! Please read it soon, please!
  • Date: Fri, 05 Feb 2010 16:07:04 +0100
  • Domainkey-signature: a=rsa-sha1; c=nofws; d=googlemail.com; s=gamma; h=message-id:date:from:user-agent:mime-version:to:subject:references :in-reply-to:content-type:content-transfer-encoding; b=v5pwK/6wi5CnGLKnQYTcrZOMBFlQNWgMsi9ydvZ1pcxAcMq159cNvCtUpos5MH8xbx OhG+ZubqloumLht/N3bKLgeC6tYQ01KEC3DPojL+rG1JXCZln9L9M2fox4eeUNeWneEc bfeSU4BI4LUGJdVRylf6e7BVotjbILyFEi9Iw=

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/>



Archive powered by MHonArc 2.6.16.

Top of Page