My Community

Hello
I have two questions
1. I calculate NEB. the material is Si and this is INCAR file
system = a-SiO2

ALGO = FAST
ISMEAR = -2
SIGMA = 0.05
LREAL = T
PREC = High
ISTART = 0
!EDIFF = 1e-8
!EDIFFG = 1e-7
!NBANDS = 30
TEBEG = 958.33
ENCUT = 500
LWAVE = .FALSE.
LCHARGE = .FALSE.
LVTOT = .FALSE.
IMAGES = 4
SPRING = -5
Ionic relaxation
NSW = 200
ISIF = 2
IBRION = 0
NFREE = 10 ! number of DIIS vectors to save
POTIM = 1

then, stdout.log file is

running on 16 nodes
each image running on 4 nodes
distr: one band on 1 nodes, 4 groups
vasp.4.6.34. 5Dec07 complex
rank 15 in job 1 nodeg02_47158 caused collective abort of all ranks
exit status of rank 15: return code 29
rank 14 in job 1 nodeg02_47158 caused collective abort of all ranks
exit status of rank 14: return code 29
rank 13 in job 1 nodeg02_47158 caused collective abort of all ranks
exit status of rank 13: return code 29
rank 12 in job 1 nodeg02_47158 caused collective abort of all ranks
exit status of rank 12: return code 29
rank 10 in job 1 nodeg02_47158 caused collective abort of all ranks
exit status of rank 10: return code 29

What the means of return code 29?

2. I calculate Molecular dynamics(MD) and material is Si, too
But I don't know how write KPOINTS
In advance I write KPOINTS is 1x1x1 and 2x2x1
Which is right 1x1x1 or 2x2x1?

concerning the formats of writing a KPOINTS please have a look at the KPOINTS chapter in the online handbook, the proper mesh has to be converged for a simple unit cell (and rescaled to the supercell if necessary, depending on the supercell size). The k-points should be evenly distributed in reciprocal space.
concerning return code 29:
It seems to me that the POSCAR file was not found or could not be read properly.
please look up your MPI manpages concerning the meaning of code number 29, this error number is not vasp-related but related to your MPI