Hi there,
has anybody managed to build Abinit (v>8) using CCE and Cray libsci? Perhaps even GNU + Cray libsci?
Is this possible via custom linalg settings on ./configure?
I'm just a little stumped as the only high performance math libraries on a machine i'm working on are Cray libsci!
Best,
CCE + Cray Libsci build
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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.
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: CCE + Cray Libsci build
Hi,
I don't have access to a Cray
it seems that the lib contains blas/lapack, blacs/scalapack and fftw.
maybe I can help you...
usable with abinit 9.x
we need to build this part of the configuration ( I guess the library is called libsci
) :
we need the value of "ROOT_OF_LIBSCI" and the name(s) of lib(s)
have you a module to load the libsci ?
if yes, load the module and try to find the environment variable with path of libsci.
jmb
I don't have access to a Cray
it seems that the lib contains blas/lapack, blacs/scalapack and fftw.
maybe I can help you...
usable with abinit 9.x
we need to build this part of the configuration ( I guess the library is called libsci
) :Code: Select all
# BLAS/LAPACK
with_linalg_flavor="custom"
LINALG_CPPFLAGS="-I${ROOT_OF_LIBSCI}/include"
LINALG_FCFLAGS="-I${ROOT_OF_LIBSCI}/include"
LINAGL_LIBS="-L${ROOT_OF_LIBSCI}/lib/ -lsci"
# FFTW
with_fft_flavor="fftw3"
FFTW3_CPPFLAGS="-I${ROOT_OF_LIBSCI}/include"
FFTW3_FCFLAGS="-I${ROOT_OF_LIBSCI}/include"
FFTW3_LIBS="-L${ROOT_OF_LIBSCI}/lib -lsci"have you a module to load the libsci ?
Code: Select all
module load cray-libscijmb
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Jean-Michel Beuken
Computer Scientist
Jean-Michel Beuken
Computer Scientist