[Pw_forum] problem with neb calculation

[Vivek Ranjan]

Dear Users,

I ran the attached input file on three different machines with : (i) Xeon
processors, (ii) IBM p690, (iii) another machine with IBM p690. I could
run the programme successfully on the first two, but the run on the third
machine stopped with the following statement :


     ------------------------------ iteration   1 ------------------------
     tcpu =      0.1;  self-consistency for image   1
 ** ON ENTRY TO DSYGV  PARAMETER NUMBER  2 HAD AN ILLEGAL VALUE

     --------------------------------------------------------------------

Usually everything is similar on the second and the third machines
mentioned  above. As a result the same makefile works well on both of
them. I would also like to mention that I have successfully performed many
calculations using PWSCF on all three machines. So, my PWSCF compilation
seems to be alright.

Any hints ?

Thank you,

Vivek

__________________________________________________________________________
web : http://www.geocities.com/vivekranjanweb
__________________________________________________________________________
Vivek Ranjan                             Email : vranjan at chips.ncsu.edu
Center for High Performance Simulation         : vranjan at ncsu.edu
Department of Physics
NC State University                      Phone : +1-919-513-0613 (Office)
Campus Box 7518                          Fax   : +1-919-513-4804
Raleigh, NC 27695
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