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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Running your case with TM pseudo on 2 nodes (abinit 4.6.5), I get an
other error but which looks quite tsimilar.
The error is encountered when starting dataset 2: abinit complains in
the log file about not having the same number k-point before and after
restart. Afterwards the MPI layer is outpouting an error almost
similar to yours that is not enough data in communicator.

This may be a problem in your input file. Are you sure you should
change the kptopt for instance ?
Yet anyway this is a bug in abinit parallel layer. It shouldn't exit
this way at least.
I'm quite surprised that your case is running until dataset 3.
This may depend on parallel compilation flag.?

Would you mind sending me the original values you use for ngkpt and
ecut  so that I can do further testing ?

regards

PMA

On 8/1/06, ilukacevic@fizika.unios.hr <ilukacevic@fizika.unios.hr> wrote:
> I am sorry for not including the input and other infos. I didn't wont the 
> post to be too long. I am including my input file and other infos now.
>
> I am working with version 4.6.5 compiled on the cluster with Linux Intel 
> machines with 2 processors. Infact this calculation was conducted on one node 
> parallelised on its 2 processors.
>
> I have already conducted the same calculation on the same cluster and 
> processors, but with smaller ecut and ngkpt. But when I analised the DDBs 
> with anaddb, it then reported
>
> phonon modes warning- :
> accoustic sum rule violation met:the eigenvalues of accoustic mode
> are too large at Gamma point
> increase cutoff energy or k-points sampling.
> the three eigenvalues are:    1.292038E-04   -2.382808E-11    1.292317E-04
>
> because of which I started the new calculation with increased ecut and ngkpt 
> as follows in the input file
>
>
> # Linear and nonlinear response calculation for CdSe
> # Perturbations: electric fields & atomic displacements
>
> #Definition of lattice parameters
> #********************************
>    acell       3*9.925           #slightly bellow the transition
>    rprim       0.0 0.5 0.5
>                0.5 0.0 0.5
>                0.5 0.5 0.0
>
> #Definition of atomic positions and types
> #****************************************
>      natom     2
>     ntypat     2
>      znucl     34 48
>      typat     1 2
>       xred     0    0    0
>                0.5  0.5  0.5
>        ixc     3
>
> #Parameters of the SCF cycles
> #****************************
>       iscf     5
>      nstep     100
>
>
> #Plane wave basis and k-point grid
> #*********************************
>       ecut     60
>     ecutsm     0.3
>    dilatmx     1.05
>      ngkpt     8 8 8
>    nshiftk     4
>     shiftk     0.5 0.5 0.5
>                0.5 0.0 0.0
>                0.0 0.5 0.0
>                0.0 0.0 0.5
>
>    ndtset      5
>    jdtset      1 2 3 4 5
>
> #DATASET1 : scf calculation: GS WF in the IBZ
> #********************************************
>    prtden1    1
>    kptopt1    1
>    toldfe1    1.0d-12
>     nband1    15
>
> #DATASET2 : non scf calculation: GS WF in the whole BZ
> #*****************************************************
>    getden2    1
>    kptopt2    2
>      iscf2   -2
>    getwfk2    1
>    tolwfr2    1.0d-24
>     nband2    15
>
>
> #DATASET3 : ddk on the MP grid of k-points
> #*****************************************
>    getwfk3    2
>     rfdir3    1 1 1
>    rfelfd3    2
>    tolwfr3    1.0d-24
>     nband3    15
>    kptopt3    2
>
> #DATASET4 : ddE on the MP grid of k-points
> #*****************************************
>    prtden4    1
>    getwfk4    2
>    getddk4    3
>     rfdir4    1 1 1
>    rfphon4    1
>   rfatpol4    1 2
>    tolvrs4    1.0d-12
>    rfelfd4    3
>     nband4    15
>    kptopt4    2
>   prepanl4    1
>
> #DATASET5 : 3DTE calculation
> #***************************
>    getden5    1
>   get1den5    4
>    getwfk5    2
>    get1wf5    4
>     nband5    15
>    kptopt5    2
> optdriver5    5
>   rf1elfd5    1
>   rf1phon5    1
>  rf1atpol5    1 2
>    rf1dir5    1 1 1
>   rf2elfd5    1
>    rf2dir5    1 1 1
>   rf3elfd5    1
>    rf3dir5    1 1 1
>
>    nbdbuf     0
>
>    timopt     1
>
>
>
>
> Hope this helps
>
> I. Lukacevic


--
Pierre-Matthieu Anglade