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

[Riping Wang]

Dear Elena,

Thank you very much for you code.
I am trying.

WANG Riping
2012.9.28

On 28 September 2012 09:51, Riping Wang <wang.ri... at gmail.com> wrote:

> 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
>
> ******************************************************************************
>
>
>
>


-- 
******************************************************************************
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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