[Pw_forum] lapack error in efg calculation

Paolo Giannozzi giannozz at nest.sns.it
Mon Mar 21 16:17:00 CET 2005

On Friday 18 March 2005 21:16, Lilong Li wrote:

> Actually this is related to npool. For example, for the scf run, i used
>    mpirun -np 16 pw.x -npool 8 < file.in > file.out
> If I use the efg.x in the following way:
>    mpirun -np 16 efg.x -npool 8 < efg.in > efg.out
> I will get 7 "error reading inputpp namelist" error.

because the code is trying ot read from 8 processors and finds just
one input. It is actually a bug that wil be (hopefully) fixed in the 
next release. Thank you for pointing out this and other problems.

> I also tried
>   mpirun -np 16 efg.x -npool 1 < efg.in > efg.out
> This time there was no reading inputpp namelist error. But I still get
> the davcio error. Probably with a different npool, efg.x reassigns the
> calculation differently than the previous scf run.

correct: presently you cannot read data from a previous parallel run 
- wavefunctions are collected into a single file, or
- you use the same number of processes and pools


Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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