[Pw_forum] use doual core
hqzhou at nju.edu.cn
Mon Nov 27 10:35:25 CET 2006
Have you set up you environment for using one the mpi libraries you installed in .bashrc?
For example, for openmpi you need to set following in your .bashrc if you are using bash
as your shell:
Note: you need to replace /opt/openmpi with the path of your installation.
----- Original Message -----
From: Amin Babazadeh
To: pw_forum at pwscf.org
Sent: Sunday, November 26, 2006 6:11 PM
Subject: Re: [Pw_forum] use doual core
Thanks a lot for your help.I did what you said.i installed
on fedora core 5 and after that i configure the espresso but this error was written
WARNING: the following problems were detected:
unsupported C/Fortran compilers combination:
CC=mpicc, F77=mpif77, F90=mpif90
you may not be able to compile this program.
i don't know what this problem means.would you please help me.
Thanks a lot
On 11/22/06, Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu > wrote:
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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