Problem with running newly installed vasp

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

Moderators: Global Moderator, Moderator

Post Reply
Message
Author
nadeemnatt
Newbie
Newbie
Posts: 1
Joined: Thu Dec 10, 2015 2:48 pm

Problem with running newly installed vasp

#1 Post by nadeemnatt » Fri Dec 11, 2015 1:02 pm

I am new to VASP. I have installed VASP 5.3 on my Intel () workstation. When I run any example file I find this error.

hwangslab@hwangslab:~/Downloads/for_Nadeem$ mpirun -np 4 vasp > output
hwangslab@hwangslab:~/Downloads/for_Nadeem$ cat output
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on 1 cores, 4 groups
using from now: INCAR
vasp.5.3.5 31Mar14 (build Dec 06 2015 07:34:44) complex

POSCAR found type information on POSCAR Sr Ti O
POSCAR found : 3 types and 40 ions

-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| You have a (more or less) 'large supercell' and for larger cells |
| it might be more efficient to use real space projection opertators |
| So try LREAL= Auto in the INCAR file. |
| Mind: At the moment your POTCAR file does not contain real space |
| projectors, and has to be modified, BUT if you |
| want to do an extremely accurate calculation you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.) |
| |
-----------------------------------------------------------------------------

LDA part: xc-table for Pade appr. of Perdew


VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49


VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49


VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49


VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
hwangslab@hwangslab:~/Downloads/for_Nadeem$


Please help me to figure out what I am doing wrong.

Post Reply