Friday, July 16, 2010

Parallel compilation of siesta & transiesta

For siesta-2.0.2, run
./configure FC=gfortran –enable-mpi
make

For siesta-3.0, run
../Src/object_setup.sh
../Src/Configure FC=gfortran –enable-mpi

Sometimes the configure script can not find the location for libraries such lapack, blas, blacs, scalapack. The path of libraries should be specified explicitly as below:

BLAS_LIBS=-lblas
LAPACK_LIBS=-llapack
BLACS_LIBS=-L/usr/lib64/openmpi/lib -lmpiblacs -lmpiblacsCinit -lmpiblacsF77init
SCALAPACK_LIBS=-L/usr/lib64/scalapack-openmpi -lscalapack

No comments:

Post a Comment