[Wien] -NI switch in mini

[Kakhaber Jandieri]

Dear wien2k users,

I cannot re-run structural optimization without initialization.
When I use "mini.position" from w2web graphical interface, the "-NI"  
switch works properly, but when I run MPI-paralleized optimization  
task on the cluster using *.csh script, "-NI" has no effect.

So the results of the different commands in my *.csh script:

min -i 100 -s 10  -j 'run_lapw -p -I -i 40 -ec 0.001 -fc 1.0 -cc 0.001'

and

min -NI -i 100 -s 10  -j 'run_lapw -p -I -i 40 -ec 0.001 -fc 1.0 -cc 0.001'

are exactly the same - DSTART is performed prior scf cycle.
Ofcourse this is not what I want. The maximal time limit on our  
cluster is 240h and for large surface calculations I am forced to  
interrupt and continue the same task several times.

I will be extremely thankfull for any advices  and suggestions.


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