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Code Block
titlePriprema
cd siesta-4.1.5/Obj/
sh ../Src/obj_setup.sh
cp intel.make arch.make
module load mpi/openmpi3openmpi31-intel-x86_64


Datoteku arch.make je potrebno editirati i dodati postavke za MPI paralelizaciju i Intel kompajler:

Code Block
titlearch.make
# parallel compile @ Isabella
CC=mpicc
FC=mpifort
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=.
FPPFLAGS += -DMPI
FPPFLAGS += -qopenmp
LIBS += -qopenmp
LIBS += -mkl=parallel -i8 -lmkl_core -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_sequential

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