答复: 答复: [SIESTA-L] compile the parallel version of siesta using openmpi

Sun, 10 Jul 2011 19:24:44 -0700 

Line16: BTOPdir = /usr/local/BLACS 
Line 50: MPIdir=/usr/lib64/mpi/gcc/openmpi
Line 51: MPILIBdir = $(MPIdir)/lib/
Line 52 should be:　  MPIINCdir = $(MPIdir)/include   (This is mistyped in
my previous Email)
Line 53: MPILIB=
Line 142 should be:   TRANSCOMM = -DUseMpi2        (For openmpi)
Line 198      F77            = mpif77
Line 203      CC             = mpicc
Line 204: CCFLAGS        = -O2

I notice that your openmpi was compiled using gnu. In our cluster, we use
intel compiler, so line 96 should be "INTFACE= -Dadd_". (For intel ifort)

This is all what we changed in the Bmake.inc file.

Hope this can help.

Cheers.
Hu

-----邮件原件-----
发件人: [email protected] [mailto:[email protected]] 代表
Neranjan Perera
发送时间: 2011年7月11日 9:43
收件人: [email protected]
主题: Re: 答复: [SIESTA-L] compile the parallel version of siesta using
openmpi

Hi Hu,
  I did the changers still it gives me the same problems ,



( cd SRC/MPI ; make  )
make[1]: Entering directory `/usr/local/BLACS/SRC/MPI'
( cd INTERNAL ; make -f ../Makefile I_int "dlvl=/usr/local/BLACS" )
make[2]: Entering directory `/usr/local/BLACS/SRC/MPI/INTERNAL'
make[2]: *** No rule to make target `/mpif.h', needed by `mpif.h'.  Stop.

make[2]: Leaving directory `/usr/local/BLACS/SRC/MPI/INTERNAL'
make[1]: *** [INTERN] Error 2
make[1]: Leaving directory `/usr/local/BLACS/SRC/MPI'
make: *** [MPI] Error 2


thanks


Neranjan



- Hide quoted text -



2011/7/9 Hu Qiu <[email protected]>

    I have got a same problem and fixed in the following manner.
    Edit the Bmake.inc file
    Line 50: MPIdir=/usr/lib64/mpi/gcc/openmpi
    Line 51: MPILIBdir = $(MPIdir)/lib/
    Line 52: $(MPIdir)/include
    Line 53: MPILIB=
    Line 203: CCFLAGS        = -O2

    This problem could be overcome.

    Cheers

    Hu Qiu

    -----&#37038;&#20214;&#21407;&#20214;-----
    &#21457;&#20214;&#20154;: [email protected]
[mailto:[email protected]] &#20195;&#34920;
    Neranjan Perera
    &#21457;&#36865;&#26102;&#38388;: 2011&#24180;7&#26376;9&#26085; 6:41
    &#25910;&#20214;&#20154;: [email protected]
    &#20027;&#39064;: [SIESTA-L] compile the parallel version of siesta
using openmpi

    Hi Siesta users,
      I am trying to compile the parallel version of siesta using openmpi.
    According to the "
    http://www.mail-archive.com/[email protected]/msg02733.html "  I need to
    install the following libraries,
    -BLAS
    -LAPACK
    -BLACS
    -Scalapack   libraries;

     I was able to install the BLAS and LAPACK lib, but got into trouble
when
    trying to install BLACS;
    accordingly I copied the

    cp BMAKES/Bmake.MPI-LINUX ./Bmake.inc
    vi Bmake.inci (need to edit .....see below)
    make mpi

    ddd I edited the Bmake.inci file

    BTOPdir = /usr/local/BLACS

      MPIdir = /usr/lib64/mpi/gcc/openmpi
      MPILIBdir =
      MPIINCdir = $(MPIdir)/include
      MPILIB =

      INTFACE = -Df77IsF2C

     TRANSCOMM =

      F77            = /usr/lib64/mpi/gcc/openmpi/bin/mpif77
      F77NO_OPTFLAGS =
      F77FLAGS       = $(F77NO_OPTFLAGS) -O
      F77LOADER      = $(F77)
      F77LOADFLAGS   =
      CC             = /usr/lib64/mpi/gcc/openmpi/bin/mpicc
      CCFLAGS        = -O3
      CCLOADER       = $(CC)
      CCLOADFLAGS    =

    -------

    When I try to compile it using;
    make mpi

    It gave me

    ( cd SRC/MPI ; make  )
    make[1]: Entering directory `/usr/local/BLACS/SRC/MPI'
    ( cd INTERNAL ; make -f ../Makefile I_int "dlvl=/usr/local/BLACS" )
    make[2]: Entering directory `/usr/local/BLACS/SRC/MPI/INTERNAL'
    make[2]: *** No rule to make target `/include', needed by `mpif.h'. 
Stop.
    make[2]: Leaving directory `/usr/local/BLACS/SRC/MPI/INTERNAL'
    make[1]: *** [INTERN] Error 2
    make[1]: Leaving directory `/usr/local/BLACS/SRC/MPI'
    make: *** [MPI] Error 2


    I would apriciate if anyone could show me what need to be done to
overcome
    the problem.

    Thanks.


    Regards,
    Neranjan

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