Hi everyone,
I get the following error right at the beginning of the calculation before it even enters the SCF loop:
internal ERROR 2 in WDES_SET_NPRO: 1505632114 219
I have the following INCAR-settings:
PREC = Accurate
GGA = PE
ISTART = 0
ICHARG = 2
ENCUT = 520 eV
ISMEAR = 0
SIGMA = 0.05
ISPIND = 1
ISPIN = 1
EDIFF = 1E-4
EDIFFG = 10E-4
NBANDS = 80
LMAXMIX = 4
Geom opt
NSW = 100
NELM = 100
IBRION = 2
ISIF = 3
POTIM = 0.4
ADDGRID = .TRUE.
IALGO = 38
ALGO = Normal
LASPH = .TRUE.
LREAL = Auto
NPAR = 10
NSIM = 4
Thank you for any answers.
internal ERROR 2 in WDES_SET_NPRO: 1505632114 219
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internal ERROR 2 in WDES_SET_NPRO: 1505632114 219
Last edited by freshwind on Thu Jan 23, 2014 10:37 pm, edited 1 time in total.
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internal ERROR 2 in WDES_SET_NPRO: 1505632114 219
obviously your MPI does not return the correct number of projectors, this looks like an MPI error, not related to vasp. Please check the installation of your MPI
Last edited by admin on Fri Feb 14, 2014 11:20 am, edited 1 time in total.