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internal error in RDPARS_ENERGY: not sufficient entries for L= 2

Posted: Wed Aug 08, 2012 1:35 am
by gcabeza
Dear users:

When I submitted a job, vasp showed the following error message:

running on 4 nodes
distr: one band on 1 nodes, 4 groups
vasp.5.2.11 10Dec10 complex
POSCAR found : 2 types and 22 ions
internal error in RDPARS_ENERGY: not sufficient entries for L= 2
internal error in RDPARS_ENERGY: not sufficient entries for L= 2
internal error in RDPARS_ENERGY: not sufficient entries for L= 2
internal error in RDPARS_ENERGY: not sufficient entries for L= 2

The same job with same INPUTS files (INCAR, KPOINTS, POSCAR, POTCAR) showed below, submitted in another cluster with vasp version 4.6.35 run successfully.

I didn?t find anything in forum vasp related to "internal error in RDPARS_ENERGY".

I would appreciate advise regarding this matter in order to solve the problem.

Regards

Gabriela
---------------------------------
INCAR FILE

ISMEAR =-5
SIGMA = 0.2
ENCUT = 400

ISTART = 0
ISPIN = 2
MAGMON = 8*0.05 14*0.01
LMAXMIX = 4

AMIX = 0.2
BMIX = 0.00001
AMIX_MAG = 0.8
BMIX_MAG = 0.00001

LREAL = Auto
NSIM = 4
NELMIN = 4
EDIFF = 1E-4

IBRION = 2
NSW = 200
ISIF = 2

LDAU = .TRUE.
LDAUTYPE = 2
LDAUL = 2 -1
LDAUU = 10 0
LDAUPRINT = 2

PREC = Accurate
-----------------------------------
POSCAR FILE

Ti O:
1.00000
2.09232892 2.09232901 0.000000
-4.59400195 4.59400215 0.000000
0.00000000 0.00000000 19.74530
8 14
Direct
0.00000 0.50000 0.00000
0.00000 0.00000 0.16452
0.00000 0.50000 0.32903
0.00000 0.00000 0.49355
0.50000 0.00000 0.00000
0.50000 0.50000 0.16452
0.50000 0.00000 0.32903
0.50000 0.50000 0.49355
0.00000 0.50000 0.10029
0.00000 0.00000 0.26481
0.00000 0.50000 0.42932
0.00000 0.00000 0.06423
0.00000 0.50000 0.22874
0.00000 0.00000 0.39326
0.50000 0.69520 0.00000
0.50000 0.19520 0.16452
0.50000 0.69520 0.32903
0.50000 0.19520 0.49355
0.50000 0.30480 0.00000
0.50000 0.80480 0.16452
0.50000 0.30480 0.32903
0.50000 0.80480 0.49355
----------------------------------
KPOINTS

title
0
Monkhorst Pack
9 9 1
0.0 0.0 0.0

Re: internal error in RDPARS_ENERGY: not sufficient entries for L= 2

Posted: Tue Sep 10, 2024 2:20 pm
by support_vasp

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