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gongyiweimu木蟲 (著名寫手)
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[求助]
Linux系統(tǒng)下GMIN軟件安裝及使用
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我下載GMIN的svn.tar.bz2文件,但是解壓后沒有發(fā)現(xiàn)是soft文件夾,不知道如何安裝,求高手指點,要是用過GMIN的高手能指點一下就更好了! GMIN軟件的主頁:http://www-wales.ch.cam.ac.uk/GMIN/ 本人對linux系統(tǒng)使用很弱,以下是我所知道的tar.bz2源代碼包安裝方式: 1、找到相應的軟件包,比如soft.tar.bz2,下載到本機某個目錄; 2、打開一個終端,su -成root用戶; 3、cd soft.tar.bz2所在的目錄; 4、tar -xjvf soft.tar.bz2 //一般會生成一個soft目錄 5、cd soft 6、./configure 7、make 8、make install [ 來自科研家族 木蟲量化 ] |

木蟲 (小有名氣)
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你可以按照下面這個說明來進行安裝,但是要根據(jù)你自己的機器環(huán)境做些改動,步驟其實就兩步,cmake產(chǎn)生makefile文件,然后再make即可。 Compilation with cmake ====================== With cmake, the build is done in a separate directory from the source. 1. Make a build directory (typically GMIN/bin/build). 2. From within that directory, tell cmake what to compile $ cmake /path/to/source 3. Build GMIN using the automatically generated Makefile $ make -j The -j flag does the compilation in parallel Changing options ---------------- You can use the in-terminal gui ccmake to adjust all compilation options. This includes which target executables to make (e.g. amber, charmm) From whithin the build directory $ ccmake . You may need to redo the cmake setup $ cmake . choosing the fortran compiler ----------------------------- To select the portland group fortran compiler the cmake build command is modified like $ FC=pgf90 cmake /path/to/source/ Compiling with MPI ------------------ The MPI compilation with cmake currently only works with pgi (I think). The command to build with MPI is a bit daft, but this is what works. You need to specify the mpi compiler, you need to turn on the MPI precompiler flag (this really aught to be done automatically), and you need to tell cmake which mpi compiler to use (becuase they are all called mpif90). $ FC=mpif90 cmake /path/to/source/ -DWITH_MPI=true -DCOMPILER_SWITCH=pgi |
木蟲 (著名寫手)

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