[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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