2017. 10. 27. 10:13 나의일 관련/Linux
siesta-4.1-b2 설치 기록
[설치 방법]
$ module load compiler/intel-2015 mpi/mvapich2-2.1
$ tar xvzf siesta-4.1-b2.tar.gz
$ cd siesta-4.1-b2/Obj
$ sh ../Src/obj_setup.sh
$ cp DOCUMENTED-TEMPLATE.make arch.make
$ vi arch.make
##### edit the arch.make file #####
CC = icc
FPP = $(FC) -E -P
FC_SERIAL = ifort
FFLAGS = -O2 -fPIC -shared-intel
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
NETCDF_LIBS = /applic/compilers/intel/2015/applib1/NETCDF4/4.1.3/lib/libnetcdff.a
MPI_INTERFACE = libmpi_f90.a
MPI_INCLUDE = .
LIBS = $(NETCDF_LIBS) $(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(MPI_LIBS) $(COMP_LIBS)
FPPFLAGS = -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT
#################################################
$ make
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