[Wien] Continuation after the crash

Kakhaber Jandieri kakhaber.jandieri at physik.uni-marburg.de
Fri Oct 22 12:57:00 CEST 2010


Dear wien2k users,

I am performing structural optimization using "min_lapw".
My task was aborted by the cluster because of  the expiration of time limit.
Now I want to continue from this point where the job was stopped.
What should I do for that?

a) run  "min" with -NI switch:
min -i 100 -s 10 -NI -j 'run_lapw -p -I -i 40  -ec 0.001 -fc 1.0 -cc 0.001'

or

b) run  "min" with -NI switch indicating also the program at which the  
job was stopped (lapw0 in my case):
min -i 100 -s 10 -NI -j 'run_lapw -p -I -i 40 -s lapw0 -ec 0.001 -fc  
1.0 -cc 0.001'

Beforehand thankful for any advices,

Dr. Kakhaber Jandieri
Department of Physics
Philipps University Marburg
Tel:+49 6421 2824159 (2825704)




More information about the Wien mailing list