siesta-4.0 설치 기록

$ module load compiler/intel-2015 mpi/mvapich2-2.1

$ cd siesta-4.0

$ cd Obj

$ sh ../Src/obj_setup.sh

$ ../Src/configure --enable-mpi

$ vi arch.make

BLAS_LIBS=-mkl-sequential

LAPACK_LIBS=-mkl=sequential

BLACS_LIBS=/applic/compilers/intel/2015/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a

SCALAPACK_LIBS=/applic/compilers/intel/2015/mkl/lib/intel64/libmkl_scalapack_lp64.a

#COMP_LIBS=dc_lapack.a liblapack.a libblas.a

NETCDF_LIBS=/applic/compilers/intel/2015/applib1/NETCDF4/4.1.3/lib/libnetcdff.a

$ make