[Wien] lapw1(c)_mpi crash in the initialization procedure

[Renate Dohmen INF]

Obviously, it was not a good idea to send a large attachment. But as
I think, you do not really need the attachment here the same mail
without attachment:


Dear Florent,

I at least have an idea. There was a correction to the original
version I had generated in connection with my optimizations of HNS. 
The modules.F file should contain the line
   
       call blacs_get(0,0,ictxtallr)

just before the line

       call blacs_gridinit(ICTXTALLR,'R',npe,1)

This is not necessary on the IBM machines where I developed the
code, but it is the correct way and necessary on all other archi-
tectures. This should have been corrected in the official version 
of Wien2k_03 as an update. Nevertheless, I send you my version of
modules.F as attachment. All these remarks concern for the moment
only Version 03, I have no experience with version 05 up to now.

Can you check, whether this may have caused the error you see? 

Best regards,
Renate Dohmen

------------------
Dr. Renate Dohmen
Computing Centre Garching of the MPG
Boltzmannstr. 2
D-85748 Garching
Germany