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
cofigure with ifort
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Re: cofigure with ifort
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"
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"
Marco Mancini
LUTH, Observatoire de Paris
5, place Jules Janssen
92190 MEUDON - FRANCE
LUTH, Observatoire de Paris
5, place Jules Janssen
92190 MEUDON - FRANCE
Re: cofigure with ifort
Example files can be found in ~abinit/doc/config/build-examples/.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain