The ABINIT Users Mailing List ( CLOSED )

["Xuan Luo" <xuan.us@gmail.com>]

Dear Emmanuel,

Thank you for your help.

Unfortunately, neither of the two method stop my run. 

I will try to solve the interface problem. 

Thanks again!

Rose

On Fri, Jun 13, 2008 at 4:37 AM, Emmanuel Arras <emmanuel.arras@cea.fr> wrote:

It should not. As written in variable descriptions, there are two ways of stopping a calculation :
using the keyword "exit" on the top of the input file or creating a file named "abinit.exit"
If neither of these are fulfilled, it should not stop. Maybe you should check again.
Note that abinit doesn't remove the abinit.exit file when it stops (as opposed to the EXIT file with CPMD).
If it still doesn't work, you must have a problem in the interface between abinit and the OS running on your cluster, but I'm not qualified to help you there.

Hope it helps,

Emmanuel ARRAS

Xuan Luo a écrit :

Dear All,

chkexit=1 or 2 in input file would stop the job very quickly, however, it doesn't run one iteration at all. I am not sure whether it works for serial job, I am running the parallel job.

Dose anyone have experience to properly stop a parallel running?

Thanks!

Rose

On Wed, Jun 11, 2008 at 11:49 AM, Emmanuel Arras <emmanuel.arras@cea.fr> wrote:

Hello,
  To exit properly, you must have set the variable chkexit to 1 or 2 in your input (http://www.abinit.org/Infos_v5.5/input_variables/vargs.html#chkexit).
Then, by creating a file abinit.exit in the running directory, you signal abinit to stop the calculation.



Xuan Luo a écrit :

Dear All,

I am doing self-consistent calculation. I want to terminate this run now. Who can drop me a line?

Many Thanks!

Rose