My Community

Hello

I'm trying to run a static energy calculation but my program stops with the following error message. Please let me know what might be causing this.

= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 59
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES

My INCAR file looks like this :

LWAVE = .TRUE.
ISIF = 2
IBRION = 2
ENCUT = 500
POTIM = 0.1
LCHARG = .FALSE.
EDIFF = 0.00001
ISMEAR = -5
MAGMOM = 10*4 4*0
SIGMA = 0.1
NSW = 0
EDIFFG = -0.01
ISPIN = 2
IALGO=48
ISTART=0
NBANDS = 244
NPAR = 1

Thanks
Aj

INCAR looks ok, it would be helpful if you also show the (last lines) of the job.out and .err files (and the information sent by the MPI if this job was run parallel).

Here are some lines from my .err file:
forrtl: severe (59): list-directed I/O syntax error, unit 10, file /home/venkata3/vasp-work/Ti3Al_2/POTCAR
Image PC Routine Line Source
vasp 000000000105B85E Unknown Unknown Unknown
vasp 000000000105A2F6 Unknown Unknown Unknown
vasp 0000000000FF98D2 Unknown Unknown Unknown
vasp 0000000000FABE9B Unknown Unknown Unknown
vasp 0000000000FAB402 Unknown Unknown Unknown
vasp 0000000000FD9A14 Unknown Unknown Unknown
vasp 0000000000FD82A4 Unknown Unknown Unknown
vasp 000000000050C100 Unknown Unknown Unknown
vasp 000000000041B8AE Unknown Unknown Unknown
vasp 0000000000419A7C Unknown Unknown Unknown
libc.so.6 00000036B901ECDD Unknown Unknown Unknown
vasp 0000000000419979 Unknown Unknown Unknown

Here, there is a mention about the POTCAR file. I checked my POTCAR file and since I was working on a binary system, I had appended the POTCAR files one element to the end of the POTCAR file of the other. I had left a blank line between the two POTCAR files. I got rid of this and the simulation runs successfully now!
So, I wanted to know : is there a repository of the meaning of the exit codes?

Thanks for your comments admin.
-
Aj

please look at the manual of your compiler for the exit codes.