[CP2K:4059] How to configure gfortran with mpich2?

Alin M Elena alinm... at gmail.com
Wed Sep 26 09:53:02 UTC 2012


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

FCFLAGS  = -I$(MPI_ROOT)/include -O3 -ffree-form $(DFLAGS) -ffree-line-length-
LIBS     = -L$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


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


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

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