The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

yajielei@gwu.edu wrote:
> Dear ABINIT users,
>
> Does ABINIT have a feature to periodically write a restart file, like once an 
> hour, so that the job can be restarted from that point of execution.  I am 
> suffering with something catastrophic happens with the server before my job 
> has finished completely. My long-time running job was stopped by the 
> administrator unexpectedly. Could anyone give me kind instructions please? 
> Most appreciate in advance.
>
> Yajie Lei
>
> Department of Mechanical and Aerospace Engineering
> School of Engineering and Applied Science
> George Washington University
> Email: yajielei@gwu.edu 

Dear Yajie Lei,

If mkmem is not 0, ABINIT writes the wavefunction file during each iteration,
and such a file can be used to restart a calculation using a slightly
modified input file. See the document
~ABINIT/Infos/Theory/set_WFs.pdf ... Also, see
the input variable irdwfk to read this file when your restart the job.

Hope this help ...
Xavier