The ABINIT Users Mailing List ( CLOSED )

[gilles zerah <gilles.zerah@wanadoo.fr>]

Dear Engin,

There was a bug in 5.4.3, and a patch was submitted on the 12/09/2007 at 
17:27. It was later corrected in the 5.4.4

Have fun,

Gilles
> Dear all,
>
> I am trying to perform paralel calculations which are not parallel in 
> kpoints but band/fft. When I tried to perform such kind of 
> calculations with abinit5.4.3,  I have reveived an error message even 
> for tutorial which related with Au-dimer. The error message 
> is:p4-error: interrupt SIGSEGV=11 and the input parameters (whicg are 
> exactly same with tutorial) (for 4 processors):
>
> nband 12
> iscf 5
> nstep 6
> tolvrs 1.0d-7
> wfoptalg 1
> nbdblock 2
> timopt 2
>
> when I tried the parameters in  /tests/paral (for 4 processors)
>
> npband 2
> npfft 2
> timopt -1
> fftalg 401 wfoptalg 4 fft_opt_lob 2
>
> The calculation is working but I noticed a warning
>
> "nproc =4  .= kpoint =1*nsppol =1
> the number of processors is larger than nkpt. This is a waste."
>
> which indicates (I quess) that the job is not working in parallel. Am 
> I doing something wrong? Does anyone has any experience about such 
> kind of paralelization?
>
> Thank you in advance...
>
> Engin
>
> ------------------------------------------------------------------
> Engin Durgun
> University of Liege
> Physics Department, Bat. B5    Phone : ++(32) (0)4-366.36.12
> B-4000 Sart Tilman                 Fax : ++(32) (0)4-366.36.29
> Belgium                                    E-mail: engin.durgun@ulg.ac.be
> ------------------------------------------------------------------