Problems running some tutorials files

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
Tomás
Newbie
Newbie
Posts: 17
Joined: Fri Jan 20, 2006 11:49 am

Problems running some tutorials files

#1 Post by Tomás » Fri Nov 10, 2006 4:32 pm

Hi!

I downloaded the files of the vasp workshop from http://cms.mpi.univie.ac.at/vasp-workshop, including the tutorials (Handson). I'm having problems when running the first calculations on fcc Si (files on Handson2/2_1_fccSi). The calculation gets stacked when "entering the main loop". Why is it happening?I've got no problems with the Ni example in the same tutorial.

Thanks

Tomás
Last edited by Tomás on Fri Nov 10, 2006 4:32 pm, edited 1 time in total.
Tomás

bandy

Problems running some tutorials files

#2 Post by bandy » Mon Nov 13, 2006 7:55 pm

check dos2unix problem. Sometimes hidden characters enter into the input files.
Last edited by bandy on Mon Nov 13, 2006 7:55 pm, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

Problems running some tutorials files

#3 Post by admin » Mon Nov 27, 2006 9:10 am

when the main loop is entered, all files have been read alredy, therefore I do not think that corrupted input file formats (of POSCAR,POTCAR,KPOINTS, INCAR) may be the error.
was there any message/warning in the job.stdout files?
Last edited by admin on Mon Nov 27, 2006 9:10 am, edited 1 time in total.

Post Reply