[Pw_forum] problem with neb calculation
Vivek Ranjan
vranjan at ncsu.edu
Fri Sep 30 19:54:34 CEST 2005
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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