CentOS7系统上的LAPACK源码安装

参考链接：linux下安装blas和lapack

BLAS 和 LAPACK 这两个数学库是很多 Linux 科学计算软件需要调用的，所以经常会用到。

LAPACK，其名为Linear Algebra PACKage的缩写，是一以Fortran编程语言编写，用于数值计算的函式集。LAPACK提供了丰富的工具函式，可用于诸如解多元线性方程式、线性系统方程组的最小平方解、计算特征向量、用于计算矩阵QR分解的Householder转换、以及奇异值分解等问题。

LAPACK的源码可以从http://www.netlib.org/lapack/处下载，BLAS也包含在其中。

BLAS,全称Basic Linear AlgebraSubprograms，即基础线性代数子程序库，里面拥有大量已经编写好的关于线性代数运算的程序。

BLAS的源码可以从 http://www.netlib.org/blas/ 下载，但实际上LAPACK中已经包含了BLAS。

0. 写在前面的：

之前采用gfortran来编译生成了lapack的库文件，但是在后续采用pgf90命令（pgf90 -llapack）来编译其它文件时，产生了以下的类似错误：

[She@she-centos7 TEC_She]$ make
pgf90  -g -fast -c  m_bern.f90
pgf90  -g -fast -c  d_inpkey.f90
pgf90  -g -fast -c  p_menaux.f90
...
pgf90  -g -fast -o main_igsTec  -L/usr/local/lib m_bern.o d_inpkey.o ... -llapack -lblas
/usr/local/lib/liblapack.a(dormlq.o)：在函数‘dormlq_’中：
dormlq.f:(.text+0x32b)：对‘_gfortran_concat_string’未定义的引用
dormlq.f:(.text+0x887)：对‘_gfortran_concat_string’未定义的引用
/usr/local/lib/liblapack.a(dormqr.o)：在函数‘dormqr_’中：
dormqr.f:(.text+0x2f8)：对‘_gfortran_concat_string’未定义的引用
dormqr.f:(.text+0x81c)：对‘_gfortran_concat_string’未定义的引用
/usr/local/lib/liblapack.a(ilaenv.o)：在函数‘ilaenv_’中：
ilaenv.f:(.text+0x58)：对‘_gfortran_compare_string’未定义的引用
ilaenv.f:(.text+0x287)：对‘_gfortran_compare_string’未定义的引用
ilaenv.f:(.text+0x2b4)：对‘_gfortran_compare_string’未定义的引用
ilaenv.f:(.text+0x2d5)：对‘_gfortran_compare_string’未定义的引用
ilaenv.f:(.text+0x2f4)：对‘_gfortran_compare_string’未定义的引用
/usr/local/lib/liblapack.a(ilaenv.o):ilaenv.f:(.text+0x313): more undefined references to `_gfortran_compare_string' follow
/usr/local/lib/liblapack.a(xerbla.o)：在函数‘xerbla_’中：
xerbla.f:(.text+0x49)：对‘_gfortran_st_write’未定义的引用
xerbla.f:(.text+0x54)：对‘_gfortran_string_len_trim’未定义的引用
xerbla.f:(.text+0x66)：对‘_gfortran_transfer_character_write’未定义的引用
xerbla.f:(.text+0x76)：对‘_gfortran_transfer_integer_write’未定义的引用
xerbla.f:(.text+0x7e)：对‘_gfortran_st_write_done’未定义的引用
xerbla.f:(.text+0x87)：对‘_gfortran_stop_string’未定义的引用
/usr/local/lib/liblapack.a(iparmq.o)：在函数‘iparmq_’中：
iparmq.f:(.text+0x150)：对‘_gfortran_compare_string’未定义的引用
iparmq.f:(.text+0x16f)：对‘_gfortran_compare_string’未定义的引用
iparmq.f:(.text+0x18f)：对‘_gfortran_compare_string’未定义的引用
iparmq.f:(.text+0x273)：对‘_gfortran_compare_string’未定义的引用
iparmq.f:(.text+0x28e)：对‘_gfortran_compare_string’未定义的引用
/usr/local/lib/liblapack.a(iparam2stage.o):iparam2stage.F:(.text+0x263): more undefined references to `_gfortran_compare_string' follow
make: *** [all] 错误 

这是由于gfortran和pgf90编译命令不同导致的，因而本文以PGI编译器来执行lapack源代码的编译，即，Fortran程序采用pgf90命令，C程序采用pgcc命令来编译，相应的具体过程及参数记录如下。

1. 确保机器上安装了PGI gfortran编译器。如果没有安装的话，手动安装：

sudo yum install gfortran

PGI编译器需要去官网下载，具体安装过程参见我的另一篇博客《CentOS 7上安装PGI 2017编译器》。

2. 下载blas, cblas, lapack 源代码， 这些源码都可以在http://www.netlib.org 上找到，下载并解压。

我下载的版本是lapack-3.7.1.tgz，解压之后会有一个文件夹,lapack-3.7.1，它含有BLAS,CBLAS,LAPACKE等文件夹，其中BLAS是BLAS的源码，CBLAS是BLAS的C语言接口。

3. 这里就是具体的编译步骤

(0) 复制lapack目录下的make.in.example文件，并修改其中的内容

首先进入lapack-3.7.1文件夹，然后根据平台的特点，将该目录下对应的 make.inc.example 文件另存为 make.inc。

cd ..

cp make.inc.example make.inc

vi make.inc

####################################################################
#  LAPACK make include file.                                       #
#  LAPACK, Version 3.7.1                                           #
#  June 2017                                                       #
####################################################################

SHELL = /bin/sh

#  CC is the C compiler, normally invoked with options CFLAGS.
#
CC     = pgcc # gcc
CFLAGS = -O3

#  Modify the FORTRAN and OPTS definitions to refer to the compiler
#  and desired compiler options for your machine.  NOOPT refers to
#  the compiler options desired when NO OPTIMIZATION is selected.
#
#  Note: During a regular execution, LAPACK might create NaN and Inf
#  and handle these quantities appropriately. As a consequence, one
#  should not compile LAPACK with flags such as -ffpe-trap=overflow.
#
FORTRAN = pgf90 # gfortran
OPTS    = -O2 -Mrecursive # -frecursive
DRVOPTS = $(OPTS)
NOOPT   = -O0 -Mrecursive # -frecursive

#  Define LOADER and LOADOPTS to refer to the loader and desired
#  load options for your machine.
#
LOADER   = pgf90 # gfortran
LOADOPTS =

#  The archiver and the flag(s) to use when building an archive
#  (library).  If your system has no ranlib, set RANLIB = echo.
#
ARCH      = ar
ARCHFLAGS = cr
RANLIB    = ranlib

#  Timer for the SECOND and DSECND routines
#
#  Default:  SECOND and DSECND will use a call to the
#  EXTERNAL FUNCTION ETIME
#TIMER = EXT_ETIME
#  For RS6K:  SECOND and DSECND will use a call to the
#  EXTERNAL FUNCTION ETIME_
#TIMER = EXT_ETIME_
#  For gfortran compiler:  SECOND and DSECND will use a call to the
#  INTERNAL FUNCTION ETIME
#TIMER = INT_ETIME
#  If your Fortran compiler does not provide etime (like Nag Fortran
#  Compiler, etc...) SECOND and DSECND will use a call to the
#  INTERNAL FUNCTION CPU_TIME
TIMER = INT_CPU_TIME
#  If none of these work, you can use the NONE value.
#  In that case, SECOND and DSECND will always return 0.
#TIMER = NONE

#  Uncomment the following line to include deprecated routines in
#  the LAPACK library.
#
#BUILD_DEPRECATED = Yes

#  LAPACKE has the interface to some routines from tmglib.
#  If LAPACKE_WITH_TMG is defined, add those routines to LAPACKE.
#
#LAPACKE_WITH_TMG = Yes

#  Location of the extended-precision BLAS (XBLAS) Fortran library
#  used for building and testing extended-precision routines.  The
#  relevant routines will be compiled and XBLAS will be linked only
#  if USEXBLAS is defined.
#
#USEXBLAS = Yes
#XBLASLIB = -lxblas

#  The location of the libraries to which you will link.  (The
#  machine-specific, optimized BLAS library should be used whenever
#  possible.)
#
BLASLIB      = ../../librefblas.a
CBLASLIB     = ../../libcblas.a
LAPACKLIB    = liblapack.a
TMGLIB       = libtmglib.a
LAPACKELIB   = liblapacke.a

(1) 编译blas

进入 BLAS/SRC 文件夹，执行以下几条命令

cd BLAS/SRC
# gfortran -c -O3 *.f # 编译所有的 .f 文件，生成 .o文件，这里采用PGI编译器的pgf90命令来编译
pgf90 -c -O3 *.f  # 编译所有的 .f 文件，生成 .o文件，这个pgf90编译命令与~/lapack*/make.inc保持一致
ar rv libblas.a *.o  # 链接所有的 .o文件，生成.a 文件
sudo cp libblas.a /usr/local/lib  #将库文件复制到系统库目录
sudo cp libblas.a /usr/lib

(2) 编译cblas

进入CBLAS 文件夹，首先根据你自己的计算机平台，将目录下某个 Makefile.XXX复制为 Makefile.in , XXX表示计算机的平台，如果是linux，那么就将Makefile.LINUX 复制为Makefile.in，然后执行以下命令

cd .. && cd ../CBLAS
cp ../BLAS/SRC/libblas.a ./testing/  # 将上一步编译成功的 libblas.a复制到 CBLAS目录下的testing子目录
make # 编译所有的目录
sudo cp ../libcblas.a /usr/local/lib #将库文件复制到系统库目录下
sudo cp ../libcblas.a /usr/lib

(3) 编译 lapack 以及 lapacke

这一步比较麻烦，首先进入lapack-3.7.1文件夹，根据平台的特点，编辑 Makefile，编译 lapack 和 lapacke 文件，并将 lapacke 目录下的头文件、lapack 目录下生成的 *.a 文件拷贝到系统目录（/usr/local/lib, /usr/lib）下。

cd ..

vi Makefile # 修改 lapack-3.7.1/Makefile 文件，因为 lapack 依赖于 blas 库
 #　旧版本
lib: lapacklib tmglib
#lib: blaslib variants lapacklib tmglib

 #　新版本
#lib: lapacklib tmglib
lib: blaslib variants lapacklib tmglib

make # 编译所有的lapack文件

cd LAPACKE # 进入LAPACKE 文件夹，这个文件夹包含lapack的C语言接口文件

make # 编译lapacke

sudo cp include/*.h /usr/local/include #将lapacke的头文件复制到系统头文件目录,
# 包括： lapacke.h, lapacke_config.h, lapacke_mangling.h,lapacke_mangling_with_flags.h lapacke_utils.h

cd ..  # 返回到 lapack-3.7.1 目录

sudo cp *.a /usr/local/lib  # 将生成的所有库文件复制到系统库目录，
                            # 包括：liblapack.a, liblapacke.a, librefblas.a,libtmglib.a。
sudo cp *.a /usr/lib

Ques: 事实上，编译 lapack 时生成的 librefblas.a 文件与编译 BLAS 时生成的 libblas.a 文件大小基本一样，这里生成了两次，是否可以省去第(1)-(2)步？

至此blas，cblas 和 lapack 就成功安装到你的电脑上了。

4. lapack子程序测试

测试程序  Console.f

! 测试程序来自：http://blog.sina.com.cn/s/blog_5f350c9601014ejc.html
      program Console1
      external dgesv
      integer n, lda, nrhs, ldb
      parameter (n=,lda=,nrhs=,ldb=)
      double precision A(lda,n)
      double precision b(ldb,nrhs)
      character byebye
      integer ipiv(n), info, i, j
      A(,)=
      A(,)=
      A(,)=
      A(,)=
      B(,)=
      B(,)=
      write(*,*) 'Hello World'
      call dgesv(n,nrhs,A,lda,ipiv,b,ldb,info)
      write(*,*) 'INFO =', info
      write(*,*) ((A(i,j),i=,lda),j=,n)
      write(*,*) ((B(i,j),i=,ldb),j=,nrhs)
      write(*,*) "END OF PROGRAM..."
      end program Console1

使用pgf90来编译该程序，可以得到预期的结果，而使用 gfortran 来编译则会报错：

[She@she-centos7 LSQtest]$ pgf90 Console1.f  -lblas -llapack # 编译及运行正常
[She@she-centos7 LSQtest]$ ./a.out
 Hello World
 INFO =
    3.000000000000000        0.3333333333333333         4.000000000000000
   0.6666666666666667
   -3.999999999999999         4.499999999999999
 END OF PROGRAM...
[She@she-centos7 LSQtest]$
[She@she-centos7 LSQtest]$
[She@she-centos7 LSQtest]$
[She@she-centos7 LSQtest]$ gfortran Console1.f  -lblas -llapack # 编译报错
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dgesv.o)：在函数‘.C1_322’中：
dgesv.f:(.data+0x18)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dgetrf.o)：在函数‘dgetrf_’中：
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrf.f:：对‘dtrsm_’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrf.f:：对‘dgemm_’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dgetrf.o)：在函数‘.C1_331’中：
dgetrf.f:(.data+0x38)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dgetrs.o)：在函数‘dgetrs_’中：
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrs.f:：对‘dtrsm_’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrs.f:：对‘dtrsm_’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrs.f:：对‘dtrsm_’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrs.f:：对‘dtrsm_’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dgetrs.o)：在函数‘.C1_292’中：
dgetrs.f:(.data+0x48)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dlaswp.o):(.data+0x0)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(ilaenv.o)：在函数‘ilaenv_’中：
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./ilaenv.f:：对‘pgf90_str_copy’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./ilaenv.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./ilaenv.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./ilaenv.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./ilaenv.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./ilaenv.f:：对‘pgf90_strcmp’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(ilaenv.o):/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./ilaenv.f:: more undefined references to `pgf90_strcmp' follow
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(ilaenv.o)：在函数‘.STATICS1’中：
ilaenv.f:(.data+0x128)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(ieeeck.o)：在函数‘.C1_352’中：
ieeeck.f:(.data+0x10)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(xerbla.o)：在函数‘xerbla_’中：
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./xerbla.f:：对‘pgf90io_src_info03’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./xerbla.f:：对‘pgf90io_fmtw_init’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./xerbla.f:：对‘pgf90_lentrim’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./xerbla.f:：对‘pgf90io_fmt_write’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./xerbla.f:：对‘pgf90io_sc_i_fmt_write’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./xerbla.f:：对‘pgf90io_fmtw_end’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./xerbla.f:：对‘pgf90_stop08’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(xerbla.o)：在函数‘.STATICS1’中：
xerbla.f:(.data+0xa0)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(iparmq.o)：在函数‘iparmq_’中：
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘__gss_log’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘__gss_log’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘__mth_i_nint’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘pgf90_str_copy’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparmq.f:：对‘pgf90_strcmp’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(iparmq.o)：在函数‘.C1_289’中：
iparmq.f:(.data+0x20)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(iparam2stage.o)：在函数‘iparam2stage_’中：
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparam2stage.F:：对‘pgf90_str_copy’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparam2stage.F:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparam2stage.F:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparam2stage.F:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparam2stage.F:：对‘pgf90_strcmp’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparam2stage.F:：对‘pgf90_strcmp’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(iparam2stage.o):/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./iparam2stage.F:: more undefined references to `pgf90_strcmp' follow
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(iparam2stage.o)：在函数‘.C1_327’中：
iparam2stage.F:(.data+0x48)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(lsame.o):(.data+0x0)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dgetrf2.o)：在函数‘dgetrf2_’中：
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrf2.f:：对‘dtrsm_’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrf2.f:：对‘dgemm_’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrf2.f:：对‘idamax_’未定义的引用
/home/She/Software/Fortran/Lapack/lapack-3.7./SRC/./dgetrf2.f:：对‘dscal_’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dgetrf2.o)：在函数‘.C1_292’中：
dgetrf2.f:(.data+0x40)：对‘f90_compiled’未定义的引用
/usr/lib/gcc/x86_64-redhat-linux/4.8./../../../liblapack.a(dlamch.o)：在函数‘.C1_291’中：
dlamch.f:(.data+0x68)：对‘f90_compiled’未定义的引用
collect2: 错误：ld 返回 

测试完毕。

5. 结论和心得

在同一台电脑上，最好对Fortran程序和C程序使用一致的编译命令，库文件和源代码都遵循这样的做法，可以避免不必要的奇怪bug。

如果一组程序中，某些文件采用了gfortran 来编译，而一些文件采用了 pgf90 命令来编译，则链接时容易产生一些难以检查的错误，浪费生命！