Error Message

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
Oettking
Newbie
Newbie
Posts: 3
Joined: Tue Sep 13, 2005 7:10 pm
License Nr.: jk35QGB7

Error Message

#1 Post by Oettking » Tue Feb 28, 2006 8:54 am

Hello all,
when starting vasp with this INCAR:
"System = Pt(1ML)/Co(3ML)/Pt(111)(Large)

NWRITE = 3
LREAL = Auto

ISPIN = 2
IALGO = 48
ISMEAR = 2
SIGMA = 0.2
NPAR = 1

NSW = 0

RWIGS = 1.455 1.302

ENMAX = 348.3935"

The system responds

" Error reading item 'IMAGES' from file INCAR.", although IMAGES is not set.
Has anyone got a solution?
Thanks in Advance
Rolf
Last edited by Oettking on Tue Feb 28, 2006 8:54 am, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

Error Message

#2 Post by admin » Tue Feb 28, 2006 1:22 pm

this is usually not a specific error for the IMAGES tag. IMAGES is the first tag read from INCAR in the parallel version of VASP, so usually this errror message rather shows up if the INCAR file itself is missing in the working directory of the job or is otherwise corrupted.
Last edited by admin on Tue Feb 28, 2006 1:22 pm, edited 1 time in total.

wahyu
Newbie
Newbie
Posts: 7
Joined: Sun Jul 03, 2005 10:58 pm

Error Message

#3 Post by wahyu » Wed Jun 15, 2011 2:02 am

You might want to compile vasp with the new version of mpich2 (mpich2.1.3.2.p1) which uses hydra as a default resource manager. There is no need to invoke mpd or mpdboot anymore. This might solve the reading error of INCAR by the calculating remote nodes. To run the new mpich2:

mpiexec.hydra -f <yournodefile> -n 128 mpivasp > vasp.out

you will need to put the global var (the -f) first before the local var (the -n).
Last edited by wahyu on Wed Jun 15, 2011 2:02 am, edited 1 time in total.

Post Reply