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taofumu

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[求助] 关于siesta-3.0-b安装并行 编译的问题 已有2人参与

请教大家:
我在虚拟机上(Centos6.5)安装intel并行后,再安装siesta-3.0-b,前面都没有问题,再修改完arch.make后,make时出现问题

关于siesta-3.0-b安装并行 编译的问题
make.jpg
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taofumu

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我(楼主)在arch.make中修改的内容
18 FC=mpif90
38 BLAS_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_intel_lp64.so
39 BLAS_LIBS=-L/opt/intel/composer_xe_2015.0.090/mkl/include/mkl_solver.*
40 LAPACK_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_sequential.so
41 LAPACK_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_core.so
42 BLACS_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.so
43 SCALAPACK_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_scalapack_lp64.so
57 MPI_INCLUDE=/opt/intel/impi/5.0.1.035/intel64/include
2楼2015-12-21 10:01:53
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taofumu

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刚才写错了,在arch.make中第38行-43行
38 BLAS_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_intel_lp64.a
39 BLAS_LIBS=-L/opt/intel/composer_xe_2013.1.117/mkl/include/mkl_solver.*
40 LAPACK_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_sequential.a
41 LAPACK_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_core.a
42 BLACS_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a
43 SCALAPACK_LIBS=-L/opt/intel/composerxe/mkl/lib/intel64/libmkl_scalapack_lp64.a
望大家海涵
3楼2015-12-21 10:29:16
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ljw4010

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感谢参与,应助指数 +1
liliangfang: 金币+1, 谢谢交流 2015-12-24 20:46:22
你这报错信息是fortran 编译器启动不了,检查fortran 编译器路径是否是对的

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不要说话
4楼2015-12-21 11:15:46
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taofumu

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送红花一朵
引用回帖:
4楼: Originally posted by ljw4010 at 2015-12-21 11:15:46
你这报错信息是fortran 编译器启动不了,检查fortran 编译器路径是否是对的

这个怎么看呀,下面是我查的一些路径不知道对不对
# which mpi90
/opt/intel/impi/5.0.1.035/intel64/bin/mpif90
# find / -name gfortran
/opt/intel/impi/5.0.1.035/mic/include/gfortran
/opt/intel/impi/5.0.1.035/intel64/include/gfortran
/usr/bin/gfortran
/usr/lib64/gfortra
5楼2015-12-21 13:10:46
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ljw4010

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引用回帖:
5楼: Originally posted by taofumu at 2015-12-21 13:10:46
这个怎么看呀,下面是我查的一些路径不知道对不对
# which mpi90
/opt/intel/impi/5.0.1.035/intel64/bin/mpif90
# find / -name gfortran
/opt/intel/impi/5.0.1.035/mic/include/gfortran
/opt/intel/impi/ ...

which fortran    ||      find / -name fortran*|ifort*
不要说话
6楼2015-12-21 13:39:26
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taofumu

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引用回帖:
6楼: Originally posted by ljw4010 at 2015-12-21 13:39:26
which fortran    ||      find / -name fortran*|ifort*...

没有fortran,有gfortran可以吗
# which fortran
/usr/bin/which: no fortran in (/opt/intel//impi/5.0.1.035/intel64/bin:/opt/intel//impi/5.0.1.035/intel64/bin:/opt/intel/composer_xe_2015.0.090/bin/intel64:/opt/intel/composer_xe_2015.0.090/mpirt/bin/intel64:/opt/intel/composer_xe_2015.0.090/debugger/gdb/intel64_mic/bin:/opt/intel//impi/5.0.1.035/intel64/bin:/opt/intel/composer_xe_2015.0.090/bin/intel64:/opt/intel/composer_xe_2015.0.090/mpirt/bin/intel64:/opt/intel/composer_xe_2015.0.090/debugger/gdb/intel64_mic/bin:/usr/lib64/qt-3.3/bin:/usr/kerberos/sbin:/usr/kerberos/bin:/usr/local/sbin:/usr/local/bin:/sbin:/bin:/usr/sbin:/usr/bin:/root/bin:/root/bin)
# which gfortran
/usr/bin/gfortran


# find / -name fortran*
/opt/siesta-3.0-b/Src/m4/fortran.m4
/opt/intel/advisor_xe_2015.1.0.367266/config/tc/fortran.ant
/opt/intel/inspector_xe_2015.1.0.366509/config/tc/fortran.ant
/usr/share/emacs/23.1/lisp/progmodes/fortran.elc
/usr/share/autoconf/autoconf/fortran.m4
/usr/share/gtksourceview-2.0/language-specs/fortran.lang
/usr/share/enscript/hl/fortran.st
/usr/share/enscript/hl/fortran_pp.st
/usr/share/kde4/apps/katepart/syntax/fortran.xml
/usr/share/doc/mvapich-common-1.2.0/examples/perftest/config/confdb/fortran90.m4
/usr/share/apps/katepart/syntax/fortran.xml
/usr/share/vim/vim72/ftplugin/fortran.vim
/usr/share/vim/vim72/compiler/fortran_elf90.vim
/usr/share/vim/vim72/compiler/fortran_g77.vim
/usr/share/vim/vim72/compiler/fortran_F.vim
/usr/share/vim/vim72/compiler/fortran_lf95.vim
/usr/share/vim/vim72/compiler/fortran_cv.vim
/usr/share/vim/vim72/indent/fortran.vim
/usr/share/vim/vim72/syntax/fortran.vim
/usr/share/gedit-2/plugins/snippets/fortran.xml
/usr/share/mc/syntax/fortran.syntax
/usr/lib64/python2.6/site-packages/numpy/f2py/src/fortranobject.c
/usr/lib64/python2.6/site-packages/numpy/f2py/src/fortranobject.h
[root@node01 Obj]# find / -name ifort*
/opt/siesta-3.0-b/Src/Sys/ifort-netcdf.make
/opt/intel/composer_xe_2015/bin/ifort
/opt/intel/bin/ifort
/opt/intel/bin/ifortvars.csh
/opt/intel/bin/ifortvars.sh
/opt/intel/composer_xe_2015.0.090/bin/ia32/ifort_libFNP.so
/opt/intel/composer_xe_2015.0.090/bin/ia32/ifort
/opt/intel/composer_xe_2015.0.090/bin/ia32/ifort.cfg
/opt/intel/composer_xe_2015.0.090/bin/intel64_mic/ifort
/opt/intel/composer_xe_2015.0.090/bin/intel64_mic/ifort.cfg
/opt/intel/composer_xe_2015.0.090/bin/intel64/ifort_libFNP.so
/opt/intel/composer_xe_2015.0.090/bin/intel64/ifort
/opt/intel/composer_xe_2015.0.090/bin/intel64/ifort.cfg
/opt/intel/composer_xe_2015.0.090/bin/ifortvars.csh
/opt/intel/composer_xe_2015.0.090/bin/ifortvars.sh
/opt/intel/composer_xe_2015.0.090/man/en_US/man1/ifort.1

可以帮我看一下有什么不对吗
7楼2015-12-21 14:05:20
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taofumu

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引用回帖:
6楼: Originally posted by ljw4010 at 2015-12-21 13:39:26
which fortran    ||      find / -name fortran*|ifort*...

大神,我需不需要装BLAS、LAPACK_LIBS、BLACS_LIBS、SCALAPACK_LIBS这些东西呀
8楼2015-12-21 15:28:57
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ljw4010

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liliangfang: 金币+1, 谢谢交流 2015-12-24 20:42:25
引用回帖:
8楼: Originally posted by taofumu at 2015-12-21 15:28:57
大神,我需不需要装BLAS、LAPACK_LIBS、BLACS_LIBS、SCALAPACK_LIBS这些东西呀...

这些库都有的吧,你看下你机器有没有装,/opt/intel/composer_xe_2015.0.090/bin/intel64/ifort  这个最好还是ifort吧,具体可以查查区别
不要说话
9楼2015-12-21 19:27:47
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binarec

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10楼2015-12-21 23:16:07
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