[Wien] about x lapw1 -nmat_only

Aboudi Hamouda aboudihamouda at yahoo.fr
Wed Jan 5 09:05:48 CET 2011


Dear Wien2k developers and users,

I am trying to run a openmpi calculation but first I need to estimate the Wien2k 
memory requirements.

I read that we need to use 'x lapw1 -nmat_only'. Si I have made the init_lapw 
process and after I wrote x lapw1 -nmat_only. I have the following errors

x lapw1c -nmat_only STOP LAPW1 - Error

0.000u 0.000s 0:00.00 0.0%      0+0k 0+0io 0pf+0w


and when I edit the error file

cat lapw1.error

Error in LAPW1

 'INILPW' - can't open unit: 18                                                

 'INILPW' -        filename: W100_pentacene.vsp                                

 'INILPW' -          status: old          form: formatted                      
 'LAPW1' - INILPW aborted unsuccessfully.

Someone can tell me if I have to change something in the sentence or add new 
commands.



      
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