Skip to Content.
Sympa Menu

forum - RE: [abinit-forum] How to restart the computation

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

RE: [abinit-forum] How to restart the computation


Chronological Thread 
  • From: tomtom <tomblister@hotmail.com>
  • To: <forum@abinit.org>
  • Subject: RE: [abinit-forum] How to restart the computation
  • Date: Sun, 14 Sep 2008 04:03:27 +0000
  • Importance: Normal

Hi,
i suppose you invoked dataset technique in your calculation, which means that you used input variable ' ndtset' and 'jdtset'. In such a case, you can first find out at which dataset your calculation is stopped by looking up the number of 'jdtset'. Then you simply remodify your input file by starting the calculation from the dataset before that number. For example, if jdtset=4 in *_STATUS file and the total number of datasets you set is 10 (which means ndtset=10), you should change ndtset in your input file to 7 (10-3=7) as well as input jdtset= 4 5 6 7 8 9 10, since the first 3 datasets have already been computed.
I hope this may help.

Cheers.

Hong Fang.

> Date: Sun, 14 Sep 2008 05:33:59 +0200
> To: forum@abinit.org
> From: naivebamboo@gmail.com
> Subject: [abinit-forum] How to restart the computation
>
> Dear abinit users,
> I am doing a calculations for force constance using the response-functional> theory. The calculation takes a long time and it stops before being completed
> because I set up a short walltime for this job. Does anyone know how to
> restart the calculation from the break point? (I found *_STATUS files which
> records the current status of the calculations).
>
> Thanks a lot
>
> Baoling Huang


一点即聊,MSN推出新功能“点我!” 马上试试!



Archive powered by MHonArc 2.6.16.

Top of Page