Transition state calculation
Posted: 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!
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!