[Pw_forum] lapack error in efg calculation
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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