[Pw_forum] question about PWSCF on linux parallel

Paolo Giannozzi giannozz at nest.sns.it
Tue Jan 4 16:01:11 CET 2005


On Monday 03 January 2005 06:13, Tae-Bum Lee wrote:

> [...] I don't know which version of MPICH will be recommended
> and how I can set-up of MPI env. for PWSCF ......

you do not have to set up a MPI environment "for PWscf".
You (or most likely your system manager) have to set up a 
MPI environment "that works". Once this is set up, and if you
have the correct path to the compiler and libraries, it should
be automaticaly recognized by "configure".

Both the documentation for PWscf and the mailing list archives
contain some information on potential problems and pointers
to more documentation. See in particular Axel Kohlmeyer's web 
site.

Paolo

-- 
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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