The ABINIT Users Mailing List ( CLOSED )

["Narayani Choudhury" <n.choudhury@gl.ciw.edu>]

This issue has been resolved. I could restart the ddk  using the same
number of processors in the mpirun as in the ground state calculations. I
don't know why it did not work in multi-dataset mode, though i had set
localrdwf=1. though. thanks, Narayani

> hi,
>
> I was using mkmem=0 in multidata set mode (ABINIP 413), but the calc
> exit after the ground state with the following message. I tried to
> rename the WFK and DEN file to restart the non self-consis calc, but it
> gives the same error. How do I fix this, Is this error related to
> localrdwf?
>
>
> Thanks in advance
> Narayani
>
>
> -P-0000  inwffil about to open unit  13 for file=ptx_WFGS_P-0000
>  newkpt : in paral mode, only node 0 describes in the main output file
> the
> copying of wfs.
> -P-0000 - newkpt: read input wf with ikpt,npw=   1    9764, make
> ikpt,npw=
>   1    9764
> -P-0000 - newkpt: read input wf with ikpt,npw=   2    9776, make
> ikpt,npw=
>   2    9776
> -P-0000 - newkpt: read input wf with ikpt,npw=   3    9766, make
> ikpt,npw=
>   3    9766
> -P-0000 - newkpt: read input wf with ikpt,npw=   4    9776, make
> ikpt,npw=
>   4    9776
> -P-0000
> -P-0000  rwwf: ERROR -
> -P-0000   Reading option of rwwf. Trying to read
> -P-0000   the (npw,nspinor,nband) record of a wf file, unit=   3
> -P-0000   gave iostat=****. Your file is likely not correct.
> -P-0000   Action: check your input wf file.
> -P-0000
> -P-0000  leave_new : decision taken to exit ...
> -P-0000  leave_new : synchronization done...
> -P-0000  leave_new : exiting...
>
>