My Community

Hello all,

I'm trying to run a job with the following INACAR:


SPRING = -5.000000
SIGMA = 0.100000
POTIM = 0.00000000
EDIFFG = -5.00e-01
PREC = Normal
GGA = OR
AGGAC = 0.0000
LUSE_VDW = .TRUE.
ICHAIN = 0
IMAGES = 6
ISMEAR = 0
ENCUT = 540.000000
ALGO = Fast
NSW = 500
IBRION = 3
NPAR = 4
IOPT = 1
LCLIMB = .FALSE.
LREAL = Auto

However, I get the following in my vasp.out:

TACC: Starting up job 3908103
TACC: Setting up parallel environment for MVAPICH2+mpispawn.
TACC: Starting parallel tasks...
Error reading item 'IMAGES' from file INCAR.


And here is what I get in the error file:

[c402-004.stampede.tacc.utexas.edu:mpispawn_0][readline] Unexpected End-Of-File on file descriptor 19. MPI process died?
[c402-004.stampede.tacc.utexas.edu:mpispawn_0][mtpmi_processops] Error while reading PMI socket. MPI process died?
[c402-203.stampede.tacc.utexas.edu:mpispawn_3][readline] Unexpected End-Of-File on file descriptor 13. MPI process died?
[c402-203.stampede.tacc.utexas.edu:mpispawn_3][mtpmi_processops] Error while reading PMI socket. MPI process died?
[c402-802.stampede.tacc.utexas.edu:mpispawn_4][readline] Unexpected End-Of-File on file descriptor 9. MPI process died?
[c402-802.stampede.tacc.utexas.edu:mpispawn_4][mtpmi_processops] Error while reading PMI socket. MPI process died?
[c402-803.stampede.tacc.utexas.edu:mpispawn_5][readline] Unexpected End-Of-File on file descriptor 11. MPI process died?
[c402-803.stampede.tacc.utexas.edu:mpispawn_5][mtpmi_processops] Error while reading PMI socket. MPI process died?
[c402-201.stampede.tacc.utexas.edu:mpispawn_1][readline] Unexpected End-Of-File on file descriptor 17. MPI process died?
[c402-201.stampede.tacc.utexas.edu:mpispawn_1][mtpmi_processops] Error while reading PMI socket. MPI process died?
[c402-202.stampede.tacc.utexas.edu:mpispawn_2][readline] Unexpected End-Of-File on file descriptor 12. MPI process died?
[c402-202.stampede.tacc.utexas.edu:mpispawn_2][mtpmi_processops] Error while reading PMI socket. MPI process died?


The job was submitted to different nodes and the result was the same. I used this INCAR for other jobs and it worked. Any help would be appreciated.

Regadrs,
Arian

have you generated the correct subdirectory-structure for the images? This is the only possible error related to VASP and the inputs for the NEB method.
if you have done son, the error must be related to MVAPICH2+mpispawn (please
contact the TACC sys admin in this case)