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小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » Abinit » [求助]linux 版本Abinit 安装问题
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lei0819

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xcpu

[交流] [求助]linux 版本Abinit 安装问题 已有2人参与

是在 http://www.abinit.org/downloads/source-packages/abinit-1
上面下载的Abinit 软件，三个版本都下载了，有条件装的就是两个linux版本的，但是
只能 “Get ABINIT for All platforms (42MB)”的能装，但是装到后面出现下面的错误提示，不解。另外一个“Get ABINIT for Linux (83MB) ”版本解压后找不到“configure”.
  
请问这该怎么处理呢？
我的linux : CentOs

Summary of important options:

  * MPI    enabled: no
  * MPI-IO enabled: no
  * GPU    enabled: no (none)

  * TRIO   flavor = netcdf-fallback+etsf_io-fallback
  * TIMER  flavor = abinit (libs: ignored)
  * LINALG flavor = netlib-fallback (libs: auto-detected)
  * FFT    flavor = none (libs: ignored)
  * MATH   flavor = none (libs: ignored)
  * DFT    flavor = libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback

Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs="

[xcpu@localhost abinit-6.6.3]$ make
make  all-recursive
make[1]: Entering directory `/home/xcpu/abinit-6.6.3'
Making all in plugins
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins'
Making all in linalg
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make -f ../../plugins/linalg/linalg.mk
make[4]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
mkdir lapack-abinit_6.0
cd lapack-abinit_6.0; \
          gzip -cd /home/xcpu/.abinit/tarballs/lapack-abinit_6.0.tar.gz | tar xf -
touch uncompress-stamp
lapack-abinit_6.0 has been uncompressed.
touch configure-stamp
lapack-abinit_6.0 has been configured.
cd lapack-abinit_6.0/blas && make \
          FC="gfortran" \
          FCFLAGS="-g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form" \
          AR="ar" \
          ARFLAGS="rc" \
          RANLIB="ranlib"
make[5]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg/lapack-abinit_6.0/blas'
gfortran -g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form -c caxpy.f
caxpy.f:0: 错误：-march= 所带参数(native)不正确
caxpy.f:0: 错误：-mtune= 所带参数(native)不正确
make[5]: *** [caxpy.o] 错误 1
make[5]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg/lapack-abinit_6.0/blas'
make[4]: *** [build-stamp] 错误 2
make[4]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[3]: *** [package-ready] 错误 2
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[2]: *** [all-recursive] 错误 1
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins'
make[1]: *** [all-recursive] 错误 1
make[1]: Leaving directory `/home/xcpu/abinit-6.6.3'
make: *** [all] 错误 2
[xcpu@localhost abinit-6.6.3]$ make
make  all-recursive
make[1]: Entering directory `/home/xcpu/abinit-6.6.3'
Making all in plugins
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins'
Making all in linalg
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make -f ../../plugins/linalg/linalg.mk
make[4]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
lapack-abinit_6.0 has been uncompressed.
touch configure-stamp
lapack-abinit_6.0 has been configured.
cd lapack-abinit_6.0/blas && make \
          FC="gfortran" \
          FCFLAGS="-g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form" \
          AR="ar" \
          ARFLAGS="rc" \
          RANLIB="ranlib"
make[5]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg/lapack-abinit_6.0/blas'
gfortran -g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form -c caxpy.f
caxpy.f:0: 错误：-march= 所带参数(native)不正确
caxpy.f:0: 错误：-mtune= 所带参数(native)不正确
make[5]: *** [caxpy.o] 错误 1
make[5]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg/lapack-abinit_6.0/blas'
make[4]: *** [build-stamp] 错误 2
make[4]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[3]: *** [package-ready] 错误 2
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[2]: *** [all-recursive] 错误 1
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins'
make[1]: *** [all-recursive] 错误 1
make[1]: Leaving directory `/home/xcpu/abinit-6.6.3'
make: *** [all] 错误 2
[xcpu@localhost abinit-6.6.3]$ make
make  all-recursive
make[1]: Entering directory `/home/xcpu/abinit-6.6.3'
Making all in plugins
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins'
Making all in linalg
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make -f ../../plugins/linalg/linalg.mk
make[4]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
lapack-abinit_6.0 has been uncompressed.
touch configure-stamp
lapack-abinit_6.0 has been configured.
cd lapack-abinit_6.0/blas && make \
          FC="gfortran" \
          FCFLAGS="-g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form" \
          AR="ar" \
          ARFLAGS="rc" \
          RANLIB="ranlib"
make[5]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg/lapack-abinit_6.0/blas'
gfortran -g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form -c caxpy.f
caxpy.f:0: 错误：-march= 所带参数(native)不正确
caxpy.f:0: 错误：-mtune= 所带参数(native)不正确
make[5]: *** [caxpy.o] 错误 1
make[5]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg/lapack-abinit_6.0/blas'
make[4]: *** [build-stamp] 错误 2
make[4]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[3]: *** [package-ready] 错误 2
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[2]: *** [all-recursive] 错误 1
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins'
make[1]: *** [all-recursive] 错误 1
make[1]: Leaving directory `/home/xcpu/abinit-6.6.3'
make: *** [all] 错误 2
[xcpu@localhost abinit-6.6.3]$ make install
Making install in plugins
make[1]: Entering directory `/home/xcpu/abinit-6.6.3/plugins'
Making install in linalg
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[3]: Nothing to be done for `install-exec-am'.
make[3]: Nothing to be done for `install-data-am'.
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/linalg'
Making install in netcdf
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/netcdf'
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/netcdf'
make[3]: Nothing to be done for `install-exec-am'.
make[3]: Nothing to be done for `install-data-am'.
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/netcdf'
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/netcdf'
Making install in etsf_io
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/etsf_io'
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/etsf_io'
make[3]: Nothing to be done for `install-exec-am'.
make[3]: Nothing to be done for `install-data-am'.
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/etsf_io'
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/etsf_io'
Making install in libxc
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/libxc'
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/libxc'
make[3]: Nothing to be done for `install-exec-am'.
make[3]: Nothing to be done for `install-data-am'.
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/libxc'
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/libxc'
Making install in atompaw
make[2]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/atompaw'
make[3]: Entering directory `/home/xcpu/abinit-6.6.3/plugins/atompaw'
test -z "/usr/local/bin" || /bin/mkdir -p "/usr/local/bin"
/usr/bin/install -c atompaw graphatom "/usr/local/bin"
/usr/bin/install: 无法 stat “atompaw”: 没有那个文件或目录
/usr/bin/install: 无法 stat “graphatom”: 没有那个文件或目录
make[3]: *** [install-exec-local] 错误 1
make[3]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/atompaw'
make[2]: *** [install-am] 错误 2
make[2]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins/atompaw'
make[1]: *** [install-recursive] 错误 1
make[1]: Leaving directory `/home/xcpu/abinit-6.6.3/plugins'
make: *** [install-recursive] 错误 1
[xcpu@localhost abinit-6.6.3]$
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1楼 2011-05-17 15:31:31
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jinbiandou

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小木虫(金币+0.5):给个红包，谢谢回帖
zzy870720z(金币+1): 鼓励交流 2011-07-06 14:18:09
Get ABINIT for Linux (83MB) ”版那个已经编辑好，你按照readme可以进行计算，但是我的电脑上不能并行
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2楼2011-05-19 12:09:31
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souledge

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小木虫(金币+0.5):给个红包，谢谢回帖
zzy870720z(金币+2): 谢谢指教 2011-07-06 14:18:17
引用回帖:
Originally posted by jinbiandou at 2011-05-19 12:09:31:
Get ABINIT for Linux (83MB) ”版那个已经编辑好，你按照readme可以进行计算，但是我的电脑上不能并行

并行的话，在编译时加上--enable-mpi，并且为了编译通过，最好加上--with-mpi-level=。顺便，指定fortran编译器为MPI的Fortran编译器会提高编译成功率~
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思想重于技巧，内涵重于表象
3楼2011-07-05 20:46:26
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