Something mistake on vasp

Vasp transition state theory tools

Moderator: moderators

Post Reply
lukewithyou
Posts: 8
Joined: Mon Oct 09, 2017 2:08 pm

Something mistake on vasp

Post by lukewithyou » Sat Oct 14, 2017 3:17 am

When I run vasp with CL-NEB, it shows:
running on 8 total cores
each image running on 2 cores
distrk: each k-point on 2 cores, 1 groups
distr: one band on 1 cores, 2 groups
vasp.5.4.1 05Feb16 (build Aug 18 2017 10:09:25) complex

POSCAR found type information on POSCAR Co O S Li
01/POSCAR found : 4 types and 28 ions
scaLAPACK will be used

-----------------------------------------------------------------------------
| |
| 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 operators |
| So try LREAL= Auto in the INCAR file. |
| Mind: If you want to do a very accurate calculations keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.) |
| |
-----------------------------------------------------------------------------

LDA part: xc-table for Ceperly-Alder, standard interpolation


Then the vasp stop, before this calculate I have all ready done one job of CL-NEB all steps are the same....
So I'm puzzled, did I built a error structure?

graeme
Site Admin
Posts: 1787
Joined: Tue Apr 26, 2005 4:25 am
Location: University of Texas at Austin
Contact:

Re: Something mistake on vasp

Post by graeme » Sat Oct 14, 2017 1:23 pm

Check the ??/OUTCAR files for errors. If you can't figure it out and think that it is related to our code, you are post a .tar.gz of the calculation and I can take a look at it.

lukewithyou
Posts: 8
Joined: Mon Oct 09, 2017 2:08 pm

Re: Something mistake on vasp

Post by lukewithyou » Sun Oct 15, 2017 2:12 am

Ok, thanks, I find set a error variables..
THANKS again :)

Post Reply