The ABINIT Users Mailing List ( CLOSED )

[Alin M Elena <alin.elena@ichec.ie>]

Hi,

If I understand correctly your error is related with not being able to  
detect 
the mvapich2 environment. My patch should cure the MPI error.

Alin


On Tuesday 22 September 2009 16:32:08 you wrote:
> Alin M Elena 提到:
> > Hi,
> >
> > Just a wild guess. The problem may be in the configure. I had to modify
> > it to make it to take the mvapich2
> >
> > here are my notes on the compile
> > I had to change configure Here is the diff
> > alin@stokes2:/ichec/packages/abinit/5.8.3-intel/build> diff
> > ../abinit-5.8.3/configure ../abinit-5.8.3/configure.old
> > 8111,8118c8111
> > < if test -x "${mpi_generic_prefix}/bin/mpicxx"; then
> > < mpi_generic_cxx="${mpi_generic_prefix}/bin/mpicxx"
> > < fi
> > <
> > < if test -x "${mpi_generic_prefix}/bin/mpirun.py"; then
> > < mpi_generic_runner="${mpi_generic_prefix}/bin/mpirun.py"
> > < fi
> > < if test -x "${mpi_generic_prefix}/bin/mpirun"; then
> > ---
> >
> >
> > CXXFLAGS="-O3 -xSSSE3" CFLAGS="-O3 -xSSSE3" FCFLAGS="-O3 -xSSSE3"
> > CFGFLAGS_NETCDF="--disable-utilities" ../abinit-5.8.3/configure --enable-
> > mpi="yes" --with-mpi-prefix=/ichec/packages/mvapich/1.2p1-intel --enable-
> > optlevel="aggressive" --enable-tricks="yes" --enable-netcdf="yes"
> > --with-mpi- level="2" --with-linalg-libs="-L$MKLROOT/lib/em64t
> > -lmkl_intel_lp64 - lmkl_intel_thread -lmkl_lapack -lmkl_core -liomp5
> > -lpthread" --with-scalapack- includes="-I$MKLROOT/include"
> > --with-scalapack-libs="-L$MKLROOT/lib/em64t - lmkl_intel_lp64
> > -lmkl_intel_thread -lmkl_scalapack_lp64 -lmkl_lapack - lmkl_core -liomp5
> > -lmkl_blacs_intelmpi_lp64 -lpthread" --enable- scalapack="yes"
> > --enable-fox --prefix=/ichec/packages/abinit/5.8.3-intel/
> >
> > Alin
> 
> Hi Alin,
> 
> Thanks for your message. My problem now is in bigdft, not abinit. I am
> not able to build
> parallel version of bigdft which support CUDA, serial version is OK Do
> you have some experience
> in building bigdft?
> 
> Jyh-Shyong Ho
> 

-- 
  ______________________________________________________________________
  Without Questions there are no Answers!
  ______________________________________________________________________
  Mr  Alin M ELENA
  Irish Centre for High-End Computing -- www.ichec.ie
  The Design Tower, Trinity Technology & Enterprise Campus
  Grand Canal Quay,  Dublin 2, Ireland
  Tel:   +353 (0) 1 5241608 ext 29
  Mob: +353 (0) 857500791
  Fax: +353 (0) 1 7645845
  http://alin.elenaworld.net
  alin.elena@ichec.ie
  alinm.elena@gmail.com
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