[INSTALL] SIESTA 3.2

 

Compiler :

Intel oneAPI

 

MPI :

Intel MPI

 

Library : 

NETCDF

$ cd siesta-3.2-pl-5
$ cd Obj/
$ sh ../Src/obj_setup.sh

$ vim arch.make 

SIESTA_ARCH=intel-test

.SUFFIXES: .f .F .o .a .f90 .F90

FC=mpiifort
FC_ASIS=$(FC)
RANLIB=ranlib
SYS=nag

MKL_ROOT=$(MKLROOT)

FFLAGS=-g -check all -traceback -I${MKL_ROOT}/include/intel64/lp64 -I${MKL_ROOT}/include
FPPFLAGS_MPI=-DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT
FPPFLAGS= $(FPPFLAGS_MPI) $(FPPFLAGS_CDF)

MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=/apps/compiler/intel/17.0.5/impi/2017.4.239/intel64/include

COMP_LIBS=dc_lapack.a

MKL_LIB=-L${MKL_ROOT}/lib/intel64
BLAS_LIBS=-lmkl_blas95_lp64
LAPACK_LIBS=-lmkl_lapack95_lp64
BLACS_LIBS=-lmkl_blacs_intelmpi_lp64

SCALAPACK_LIBS=-lmkl_scalapack_lp64
EXTRA_LIBS= -lmkl_intel_lp64 -lmkl_core -lm -lpthread -lmkl_sequential      
LIBS=$(MKL_LIB) $(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(NETCDF_LIBS) $(EXTRA_LIBS) -L/apps/compiler/intel/17.0.5/impi/17.0.5/applib2/mic-knl/netcdf-hdf5-parallel/4.6.1/lib -lnetcdf

#
.F.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS)  $(FPPFLAGS) $<
.f.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS)   $<
.F90.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS)  $(FPPFLAGS) $<
.f90.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS)   $<
#

$ make