[Pw_forum] use doual core

Amin Babazadeh babazade at gmail.com
Thu Nov 30 08:17:47 CET 2006


Thanks a lot for your answers.but until yet i couldn't solve my
problem.Iconfused about mpi. there are three kind of mpi in the
Internet
(lam/mpi,openmpi,mpich) i don't know which one of them i should install.
about making the environment i should say that i am beginner in using Linux
so i use the ./configure commend and i didn't change any path because i
don't know how i should do it.
i will appreciate if answer my question?
1-which mpi do i need for my job?
2-how could i change the path?
3-is ifort compiler enough for installing mpi package?
Thanks a lot

On 11/27/06, Huiqun Zhou <hqzhou at nju.edu.cn> wrote:
>
>  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:
> ...
> export PATH=/opt/openmpi/bin:$PATH
> export LD_LIBRARY_PATH=/opt/openmpi/lib:$LD_LIBRARY_PATH
> ...
>
> Note: you need to replace /opt/openmpi with the path of your installation.
>
> Huiqun Zhou
>
>
> ----- Original Message -----
> *From:* Amin Babazadeh <babazade at gmail.com>
> *To:* pw_forum at pwscf.org
> *Sent:* Sunday, November 26, 2006 6:11 PM
> *Subject:* Re: [Pw_forum] use doual core
>
>
> Dear Dr.Kohlmeyer
> Thanks a lot for your help.I did what you said.i installed
> fftw-3.1.2.tar
> lam-7.1.2.tar
> mpich2-1.0.4p1.tar
> openmpi-1.1.2.tar
>  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
> > your choice.
> >
> > axel.
> >
> > > would you please tell me or give me a document that solve my problem.
> > >
> > >
> > > --
> > > AMIN
> >
> >
> > --
> > =======================================================================
> > 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.
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
>
>
>
> --
> AMIN
>
>


-- 
AMIN
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