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gongyiweimu木蟲(chóng) (著名寫(xiě)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(méi)有發(fā)現(xiàn)是soft文件夾,不知道如何安裝,求高手指點(diǎn),要是用過(guò)GMIN的高手能指點(diǎn)一下就更好了! GMIN軟件的主頁(yè):http://www-wales.ch.cam.ac.uk/GMIN/ 本人對(duì)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(yīng)的軟件包,比如soft.tar.bz2,下載到本機(jī)某個(gè)目錄; 2、打開(kāi)一個(gè)終端,su -成root用戶(hù); 3、cd soft.tar.bz2所在的目錄; 4、tar -xjvf soft.tar.bz2 //一般會(huì)生成一個(gè)soft目錄 5、cd soft 6、./configure 7、make 8、make install [ 來(lái)自科研家族 木蟲(chóng)量化 ] |

木蟲(chóng) (著名寫(xiě)手)

銅蟲(chóng) (小有名氣)
木蟲(chóng) (小有名氣)
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你可以按照下面這個(gè)說(shuō)明來(lái)進(jìn)行安裝,但是要根據(jù)你自己的機(jī)器環(huán)境做些改動(dòng),步驟其實(shí)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 |
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