internal error in RDPARS_ENERGY: not sufficient entries for L= 2
Posted: Wed Aug 08, 2012 1:35 am
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
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