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SIESTA之arch.make

已有 4113 次阅读 2014-9-21 22:01 |个人分类:SIESTA|系统分类:科研笔记

# You have to change MKL ,NetCDF and MPI  path according to your Linux OS

# This file is part of the SIESTA package.

#

# Copyright (c) Fundacion General Universidad Autonoma de Madrid:

# E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal

# and J.M.Soler, 1996- .

#

# Use of this software constitutes agreement with the full conditions

# given in the SIESTA license, as signed by all legitimate users.

#

.SUFFIXES:

.SUFFIXES: .f .F .o .a .f90 .F90


DUMMY_FOX= --enable-dummy

SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown


FPP=

FPP_OUTPUT=

FC=/share/apps/mpi/openmpi/bin/mpif90

RANLIB=ranlib


SYS=nag


SP_KIND=4

DP_KIND=8

KINDS=$(SP_KIND) $(DP_KIND)

netcdf=/share/apps/siesta/netcdf

FFLAGS=-g -O2  -I/share/apps/intel/mkl/include -I/share/apps/intel/mkl/include/intel64/lp64 -I${netcdf}/include

FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DCDF

#LDFLAGS=-I${netcdf}/include  -static-intel -limf -lm -L/share/apps/intel/mkl/lib/intel64

LDFLAGS=  -static-intel -I${netcdf}/include -limf  -L/share/apps/intel/mkl/lib/intel64 #-lm # limf


ARFLAGS_EXTRA=


FCFLAGS_fixed_f=

FCFLAGS_free_f90=

FPPFLAGS_fixed_F=

FPPFLAGS_free_F90=


MKL_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lpthread

BLAS_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_blas95_lp64

LAPACK_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_lapack95_lp64

BLACS_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_blacs_openmpi_lp64

SCALAPACK_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_scalapack_lp64


COMP_LIBS=dc_lapack.a


NETCDF_LIBS=-L${netcdf}/lib -lnetcdff

NETCDF_INCLUDE=-L${netcdf}/include

NETCDF_INCFLAGS=


LIBS= -Wl,--start-group $(MKL_LIBS) $(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) -Wl,--end-group $(NETCDF_LIBS)


#SIESTA needs an F90 interface to MPI

#This will give you SIESTA's own implementation

#If your compiler vendor offers an alternative, you may change

#to it here.

MPI_INTERFACE=libmpi_f90.a

MPI_INCLUDE=.


#Dependency rules are created by autoconf according to whether

#discrete preprocessing is necessary or not.

.F.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F)  $<

.F90.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<

.f.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f)  $<

.f90.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90)  $<




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