[Pw_forum] [Maybe SPAM] How to do clean stop during running job

[stefano de gironcoli]

dear Venkataramana Imandi
   your message is not very clear, to me at least, about what is your 
problem.

   a user can stop a running calculation cleanly (so being able to 
restart it or use its
temporarily stored data) by creating a prefix.EXIT file in the execution 
directory.
   did you created such a file in the execution directory ? if yes did 
the code stop (when reaching the next check point) ?

   the second method allows you to use a system signal to interrupt the 
calculation but
1) the code needs to be instructed in advance when compiled by 
specifying the option in the MANUAL_FLAG variable in make.sys
2) the code will stop at the next check point anyway.

stefano

   On 02/10/2015 19:26, Venkataramana Imandi wrote:
> Dear all,
>
> In the manual clean stop occurs as follows.
> 1. prefix.EXIT file is created in the execution directory.
>  In my calculations, prefix.EXIT file is not created (prefix name 
> given in the control namelist) during the calculations.
>  If it is created in the execution directory, how to stop calculations 
> (please suggest command prompt).
> 2. signal trapping
>  add \mbox{"-D\_\_TERMINATE\_GRACEFULLY"} to \mbox{MANUAL\_DFLAGS} in 
> the make.sys file for clean stop.
>  But I don't know where and which position the above command add in 
> the make.sys file (attached make.sys file) and please suggest me.
>  I tried several ways with command as follows.
>  qsig jobid
>  qsig -s SIGTERM jobid
>  qsig -s SIGTERM jobidname
>
>  the above commands do not give clean stop, that means compilation is 
> required with \mbox{"-D\_\_TERMINATE\_GRACEFULLY"} to 
> \mbox{MANUAL\_DFLAGS} in the make.sys file.
>  Please suggest, how to do clean stop in the QE calculations.
>
>
> # MANUAL_DFLAGS  = additional precompilation option(s), if desired
> #                  You may use this instead of tweaking DFLAGS and FDFLAGS
> #                  BEWARE: will not work for IBM xlf! Manually edit 
> FDFLAGS
> MANUAL_DFLAGS  =
>
> venkataramana
> PhD student
> IIT Bombay
> Mumbai
>
>
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