invoked from within error during nanotube relaxation

[aniket_singha]

VASP 6 CALCULATION PROTOCOL:
============================
1. Geometry optimization (atom positions)
Saved properties in this step: wave functions


VASP parameters
===============
This is a calculation based on density functional theory and the GGA-PBE exchange-correlation functional for describing the interactions.

Since no magnetic moments are in the model, this is a non-magnetic calculation using 'normal' precision
and an increased planewave cutoff energy of 520.000 eV (for cell optimizations).

The electronic iterations convergence is 1.00E-05 eV using the Normal (blocked Davidson) algorithm
and real space projection operators.

The requested k-spacing is 0.5 per Angstrom, which leads to a 1x1x4 mesh.
This corresponds to actual k-spacings of 0.139 x 0.139 x 0.499 per Angstrom.
The k-mesh is forced to be centered on the gamma point.

Using Gaussian smearing with a width of 0.05 eV.

Other non-default parameters:
Extra input is #SYMPREC = 0.000000001
Initial charge density is from initial wave functions
Initial wave functions is read in from previous run
Wave functions is TRUE
Number of bands is 350
Use wave functions from job 838
==========================================

Restarting from 838:WAVECAR.txt

Using version 4.0 GGA-PBE / PAW potentials:


===============================================================
ERROR!!!
VASP failed. Please check VASP.out and OUTCAR.out for the reason.
while executing
"error "VASP failed. Please check $vaspoutname and $filename for the reason.""
(object "::parser0" method "::VASP6::Parser::OUTCAR" body line 33)
invoked from within
"$parser OUTCAR OUTCAR.out"
(object "::batch0" method "::VASP6::Batch::minimization" body line 471)
invoked from within
"$this minimization"
(object "::batch0" method "::VASP6::Batch::run" body line 34)
invoked from within
"$VASP run"
("uplevel" body line 45)
invoked from within
"uplevel \#0 $script"
(procedure "run" line 5)
invoked from within
"run"

[alexey.tal]

Hi aniket_singha,

There is a warning in vasp.out "WAVECAR: different cutoff or change in lattice found"
Are you trying to restart this calculation from WAVECAR or do you want to start from scratch?
If you want to restart from WAVECAR make sure that the calculations are compatible otherwise remove the file (or set ISTART = 0).

Also, please provide all the files according to the forum guildelines.

[aniket_singha]

Hello sir,
Thank you for the response. The calculation was restarted from the wavecar obtained from single point calculation with the default cutoff. The cutoff was increased for the structural relaxation calculation steps. The calculations run well on single core but this structure is a nanotube has 46 atoms and issues error while running on multiple cores. I am attaching all the files INCAR,Jobscript, KPOINT, OUTCAR, POSCAR, POTCAR, stdout.
Please find the attachment.
Thanks

[alexey.tal]

I see that you are running MedeA-vasp, so I would recommend you to forward this question to the Materials Design support.