[CP2K:4061] How to configure gfortran with mpich2?

[Riping Wang]

Dear Jorg,

Thank you very much for your help.
I still have problem in installation in gfortran.
But I am continuing to try.


WANG Riping
2012.9.27


On 26 September 2012 18:53, Alin M Elena <alinm... at gmail.com> wrote:

> **
>
> Hi,
>
>
>
> it depends very much on what you decide to install...
>
> I can share with you my arch file this is for mvapich2 wih gcc (you need a
> recent version) and intel-mkl...
>
>
>
> CC = gcc
>
> CPP =
>
>
>
> FC = mpif90
>
> LD = mpif90
>
>
>
> AR = ar -r
>
>
>
> CPPFLAGS =
>
> DFLAGS = -D__GFORTRAN -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK
> -D__FFTMKL -D__LIBINT
>
> FCFLAGS = -I$(MPI_ROOT)/include -O3 -ffree-form $(DFLAGS)
> -ffree-line-length-none
>
> LDFLAGS = $(FCFLAGS)
>
> LIBS = -L$MKLROOT/lib/em64t -lmkl_scalapack_lp64 -lmkl_gf_lp64
> -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 \
>
> -L/ichec/home/users/alin/playground/cp2kpink_libint/libint_tools/lib
> -lderiv -lint -lstdc++
>
>
>
> OBJECTS_ARCHITECTURE = machine_gfortran.o
>
>
>
>
>
> if you do not want libint you can safely remove -D__LIBINT and let the
> last line out. of course you may decide to be more aggressive in
> optimisation too
>
>
>
> Alin
>
>
>
>
>
> On Wednesday 26 Sep 2012 17:51:49 Riping Wang wrote:
>
> Dear developers,
>
> Compiler gfortran + mpich2 + scalapack is convenient to install in linux,
> as just with "yum install".
> But there is no such kind of selection in installation arch.
> There is only two series selection for gfortran: sdbg and sopt at present.
>
> Any one can give me hints?
>
> A lot of thanks.
>
> WANG Riping
> 2102.9.26
>
>
> --
>
>
> ******************************************************************************
> WANG Riping
> Ph.D student,
>
> Institute for Study of the Earth's Interior,Okayama University,
> 827 Yamada, Misasa, Tottori-ken 682-0193, Japan
> Tel: +81-858-43-3739(Office), +81-858-43-1215(Inst)
>
> E-mail: wang.ri... at gmail.com
>
> ******************************************************************************
>
>
>
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>
> --
>
> Without Questions there are no Answers!
>
> ______________________________________________________________________
>
> Alin Marin ELENA
>
> Advanced Molecular Simulation Research Laboratory
>
> School of Physics, University College Dublin
>
> ----
>
> Ardionsamblú Móilíneach Saotharlann Taighde
>
> Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath
>
>
>
>
> -----------------------------------------------------------------------------------
>
> http://alin.elenaworld.net
>
> ______________________________________________________________________
>
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-- 
******************************************************************************
WANG Riping
Ph.D student,
Institute for Study of the Earth's Interior,Okayama University,
827 Yamada, Misasa, Tottori-ken 682-0193, Japan
Tel: +81-858-43-3739(Office), +81-858-43-1215(Inst)
E-mail: wang.ri... at gmail.com
******************************************************************************
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