[Pw_forum] use doual core

Huiqun Zhou 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:
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 
  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 
   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.


    > 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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20061127/c7d95497/attachment.html>

More information about the users mailing list