VASP ignoring INCAR commands

Message

Deadrew · #1 Post by **Deadrew** » Sun Apr 03, 2011 10:13 pm

I am running vasp on our unix supercomputer system at ASU, and for some reason, over 12 lines of commands from my INCAR file are being ignored when I run the program on VASP. These include my settings for IBRION, ISTART, ICHARG, ENCUT, EDIFF, EDIFFG, NELM, NELMIN, LREAL, NSW, ISMEAR, SIGMA, and LVTOT. Most of the other commands I have in my INCAR file correspond to defaults, so I'm not sure if they're being ignored or run properly, either. I'm not sure what I'm doing wrong, and my professor that I'm running these jobs for has no idea, either. Does anyone have any idea what might be wrong? I don't know where to start looking for issues.

#2 Post by **admin** » Mon Apr 04, 2011 7:47 am

This really is puzzling, because if ALL parameters are ignored, this would indicate that INCAR does not exist in the directory from which VASP is started. However, if this was the case, VASP would stop immediately, with the corresponding error message.

Therefore, please check if there are no typos or hidden characters in INCAR, and that you did not comment the parameters by error (by a #).

Deadrew · #3 Post by **Deadrew** » Mon Apr 04, 2011 3:17 pm

Ok, maybe I should do this: I tried to upload the files that I'm using as "INCAR trouble 1.txt" and "OUTCAR trouble 1.txt". I was wanting to place them here, but not sure how to, and I figured that the large number of characters in OUTCAR would not fit here.

Deadrew · #4 Post by **Deadrew** » Mon Apr 04, 2011 10:49 pm

You were correct. There were hidden characters in the INCAR file that were disrupting the commands. Everything is working fine now. Thank you.