[Pw_forum] use doual core
akohlmey at cmm.chem.upenn.edu
Wed Nov 22 16:34:33 CET 2006
On 11/22/06, Amin Babazadeh <babazade at gmail.com> wrote:
> dear users
> I use a computer with a dual core CPU.but my problem is that when i run a
> program only one of the CPU work but i like to share the work (solving k
> points) between cpus.
> I think that i should install the parallel pwscf but when i run the
> ./configure only single pwscf installed.
you have to install an MPI package (e.g. LAM/MPI, OpenMPI, MPICH)
first and then configure/compile quantum espresso with parallel support
as explained in the provided installation instructions.
please make sure that your MPI package is compatible with or compiled
for the fortran compiler you want to use to compiled quantum espresso with.
precompiled packages may be compiled for a different compiler and thus
need special flags or environment variables set to use the compiler of
> would you please tell me or give me a document that solve my problem.
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.
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