[Pw_forum] use doual core

[Amin Babazadeh]

Dear Dr.Zhou and kohlmeyer
Thanks a lot for your helps. i will try to do your recommendation.
Sincerely yours
amin

On 12/2/06, Huiqun Zhou <hqzhou at nju.edu.cn> wrote:
>
>  Amin,
>
> Sorry, I was out of the town and had no access to my e-mail.
>
> 1. You can use anyone of MPI implemetations. But I recommend Intel MPI-2
> because it's an
>   installable binary, it saves you as a beginner a lot of time. If you
> cannot get a copy of that,
>   use OpenMPI, a successor of LAM/MPI.
> 2. Basically, when you recompile MPI, you can add
> --prefix=/your/favourite/place to configure
> 3. You need C compiler to compile MPI. You need gcc too. I compiled MPI
> with icc + ifort.
>
> Good luck!
>
> Huiqun
>
>
> ----- Original Message -----
> *From:* Amin Babazadeh <babazade at gmail.com>
> *To:* pw_forum at pwscf.org
> *Sent:* Thursday, November 30, 2006 3:17 PM
> *Subject:* Re: [Pw_forum] use doual core
>
> 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
>
>


-- 
AMIN
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