The ABINIT Users Mailing List ( CLOSED )

[Josef Zwanziger <jzwanzig@gmail.com>]

Hi,
are you trying to run it in parallel? If so, try it on just one
processor (run conducti, not mpirun conducti). If you are doing that
already, try compiling it separately without mpi support.

Josef W. Zwanziger
Professor of Chemistry
Canada Research Chair in NMR Studies of Materials
Director, Nuclear Magnetic Resonance Research Resource (NMR-3)
Dalhousie University
Halifax, NS B3H 4J3 Canada
tel: +1 (902) 494-1960
fax: +1 (902) 494-1867
web: http://jwz.chem.dal.ca
jzwanzig@gmail.com, jzwanzig@dal.ca



On Wed, Feb 17, 2010 at 2:06 PM, Tonatiuh Rangel
<Tonatiuh.Rangel@uclouvain.be> wrote:
> Dear all,
>
> I am having an error with optics paw:
>
>
>
> I am using the output file of v5/t09.in to run conducti as it is indicated.
> Following the tutorial in "users/linear_optics_paw.pdf" I use
> for the conductivity part the following input file:
>
> 3 # option for the program conducti, telling it to do linear optics
> calculation
> sio # base name of files to read from ground state calculation
> 0.018 # scissors correction to apply, in Hartrees
> 0.009 0.0001 2.0 1000 # smearing width, minimum and maximum energies (all
> in Ha)
>                      # and number of points to compute
>
>
>
> But when running conducti the code stops with the following error:
> *** An error occurred in MPI_Comm_f2c
> *** before MPI was initialized
> *** MPI_ERRORS_ARE_FATAL (your MPI job will now abort)
>
> Can anyone help me with this?
>
> Best
> Tonatiuh
>
>
>
>