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 -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20061130/c99d8943/attachment.htm
