Transition state calculation

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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zhangjy

Transition state calculation

#1 Post by zhangjy » Fri Mar 10, 2006 7:41 am

I have the same problem with anagaw:
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?2.238

My INCAR is quite simple:

#-----------------------------------
SYSTEM = Elastic Band Method
IMAGE = 1
SPRING = -5
LSCALAPACK = .FALSE.
IBRION = 3
#----------------------------------

I set up 3 sub-directories: 00/.01/ and 02/. Each subdir store a POSCAR.

I also used vasp_mpi to perform parallization caclualtion with 3 CPUs. But the error message is :

running on 3 nodes
distr: one band on 1 nodes, 3 groups
vasp.4.6.21 23Feb03 complex
ERROR: the following files does not exist POSCAR

Almost the same as anagaw.
If I used POSCAR in 00/, vasp can run but not for NEB calcualtion. I do not know what is the problem. Please give me some comments.


Thanks!
Last edited by zhangjy on Fri Mar 10, 2006 7:41 am, edited 1 time in total.

konglt

Transition state calculation

#2 Post by konglt » Fri Mar 10, 2006 2:01 pm

IMAGES, not IMAGE.
Last edited by konglt on Fri Mar 10, 2006 2:01 pm, edited 1 time in total.

zhangjy

Transition state calculation

#3 Post by zhangjy » Tue Mar 14, 2006 2:57 am

Thank you very much!
Last edited by zhangjy on Tue Mar 14, 2006 2:57 am, edited 1 time in total.

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