Problem with running newly installed vasp

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


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nadeemnatt
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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.

support_vasp
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Re: Problem with running newly installed vasp

#2 Post by support_vasp » Wed Sep 04, 2024 12:53 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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