cofigure with ifort

option, parallelism,...

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somourad
Posts: 13
Joined: Thu Feb 18, 2010 11:18 am

cofigure with ifort

Post by somourad » Mon May 10, 2010 9:47 am

Hi Abinit user:
i would like to configure abinit with ifort, mkl and to optimize, so:
which commend to use in configure (example: ./configure..............)
Best regards

mancini
Posts: 40
Joined: Mon Nov 09, 2009 10:56 am

Re: cofigure with ifort

Post by mancini » Mon May 10, 2010 2:41 pm

Hi somourad,
here you have my configure file with ifort and mpich (I called it *_ifort).

FC="mpif90_ifort"
CC="mpicc_ifort"
CXX="mpicxx_ifort"

enable_debug="no"
enable_optim="aggressive"

#This option is imprtant with INTEL if you are on a small station
FCFLAGS_EXTRA="-heap-arrays 1024"

enable_mpi="yes"
enable_mpi_io="yes"

enable_linalg="yes"
with_linalg_libs="-llapack -lblas"
with_linalg_includes="-I/opt/intel/Compiler/11.1/064/mkl/include/"
with_linalg_libs="-L/opt/intel/Compiler/11.1/064/mkl/lib/em64t/ -lblas -llapack"


#enable_all_plugins="no"
# enable_libxc="no"
# enable_macroave="no"
# enable_wannier90="no"
# enable_bigdft="no"
# enable_netcdf="no"
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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
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Re: cofigure with ifort

Post by pouillon » Mon May 10, 2010 3:39 pm

Example files can be found in ~abinit/doc/config/build-examples/.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

somourad
Posts: 13
Joined: Thu Feb 18, 2010 11:18 am

Re: cofigure with ifort

Post by somourad » Mon May 10, 2010 5:50 pm

thank you, all.

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