1.编译openmpi (http://www.open-mpi.org/software/ompi/v1.6/)

(1)

./configure --prefix=/home/x_guazh/software/openmpi-1.6.5 CC=gcc CXX=g++ F77=gfortran FC=gfortran

(3)

make all install

(4)

打开 ~/.bashrc 添加环境变量:

export PATH=/home/x_guazh/software/openmpi-1.6.5/bin:$PATH

export LD_LIBRARY_PATH= /home/x_guazh/software/openmpi-1.6.5/lib: $LD_LIBRARY_PATH

(5)

source ~/.bashrc

2.编译Lapack (http://www.netlib.org/lapack)

(1)

cp make.inc.example  make.inc

然后编辑Makefile，找到lib选项，编辑为：

lib: lapacklib blaslib lapackelib tmglib variants

这样就把所有的东西都编译出来，默认是不编译blas的

(2)

make

这样在目录下就会出来：

liblapack.a, blaslib.a, lapackelib.a, tmglib.a

3.编译BLACS

(1)

下载MPIBLACS: http://www.netlib.org/blacs/mpiblacs.tgz

下载补丁：http://www.netlib.org/blacs/mpiblacs-patch03.tgz

(2)

tar -zxvf mpiblacs.tgz

tar -zxvf mpiblacs-patch03.tgz

(3)

cd BLACS

cp BMAKES/Bmake.MPI-LINUX  ./Bmake.inc

(4)

vi Bmake.inc (参见：http://www.open-mpi.org/faq/?category=mpi-apps#blacs)

# Section 1:

BTOPdir = /home/x_guazh/software/BLACS

COMMLIB = MPI

# Ensure to use MPI for the communication layer

COMMLIB = MPI

# The MPIINCdir macro is used to link in mpif.h and

# must contain the location of Open MPI's mpif.h.

# The MPILIBdir and MPILIB macros are irrelevant

# and should be left empty.

MPIdir = /home/x_guazh/software/openmpi-1.6.5-gnu

MPILIBdir =

MPIINCdir = $(MPIdir)/include

MPILIB =

# Section 2:

SYSINC =

INTFACE = -Df77IsF2C

SENDIS =

BUFF =

TRANSCOMM = -DUseMpi2

WHATMPI =

SYSERRORS =

# Section 3:

# You may need to specify the full path to

# mpif77 / mpicc if they aren't already in

# your path.

F77            = mpif77

F77LOADFLAGS   =

CC             = mpicc

CCLOADFLAGS    =

(4) make mpi

编译完成后，在LIB下面出现：

blacsCinit_MPI-LINUX-0.a

blacsF77init_MPI-LINUX-0.a

blacs_MPI-LINUX-0.a

4.编译scalapack

参见：http://www.open-mpi.org/faq/?category=mpi-apps#scalapack

(1)

下载：http://www.netlib.org/scalapack/scalapack-2.0.2.tgz

(2)

tar zxvf scalapack-2.0.2.tgz

(3)

cd scalapack-2.0.2

(4)

cp SLmake.inc.example SLmake.inc

(5)

vi SLmake.inc

2.0.2版本的文件设置比较简单

BLASLIB       = /home/x_guazh/software/lapack-3.5.0/librefblas.a

LAPACKLIB     = /home/x_guazh/software/lapack-3.5.0/liblapack.a

5.编译siesta

把上面得到的.a文件全部拷到一个文件中，方便使用，比如~/software/lib

librefblas.a

liblapack.a

blacsCinit_MPI-LINUX-0.a

blacs_MPI-LINUX-0.a

blacsF77init_MPI-LINUX-0.a

libscalapack.a

part of arch.make:

FFLAGS= -ftree-vectorize -O3

FFLAGS_DEBUG= -g

PATH_LIB=/home/x_guazh/software/lib

BLAS_LIBS=$(PATH_LIB)/librefblas.a

LAPACK_LIBS=$(PATH_LIB)/liblapack.a

BLACS_LIBS=$(PATH_LIB)/blacsCinit_MPI-LINUX-0.a $(PATH_LIB)/blacs_MPI-LINUX-0.a $(PATH_LIB)/blacsF77init_MPI-LINUX-0.a

SCALAPACK_LIBS=$(PATH_LIB)/libscalapack.a

#COMP_LIBS=dc_lapack.a # it it needed only if there is lack of LAPACK/BLAS

MPI_INTERFACE= libmpi_f90.a

MPI_INCLUDE=.

FPPFLAGS_MPI=-DMPI

[Last edited by zhangguangping on 2014-1-17 at 11:43]