第一原理分子動力学プログラム STATE Senri Wiki
開始行:
* Preliminaries [#a0105277]
In this section, how to obtain code and pseudopotentials,...
#Contents
** Obtaining the code [#z1cffec7]
STATE is not (yet) in the public domain and please ask de...
** Compiling the code [#cf4ce527]
In this tutorial, we put source code, pseudopotentials, a...
-${HOME}/STATE/src
-${HOME}/STATE/gncpp
-${HOME}/STATE/outs
and we are going to use the version 5.6.6 of STATE (state...
copy the source code in the source directory (STATE/src) as
$ cp /source/directory/state-5.6.6.tgz .
where ">" indicates the command prompt.~
Untar the source code
$ tar zxf state-5.6.6.tgz
and get the source directory state-5.6.6/ in the current ...
Then change directory
$ cd state-5.6.6/src
and prepare Makefile (copy or make symbolic link to an ap...
$ ln -s ../arch/make.arch.intel_smith make.arc
After editing "make.arch" as appropriate, type make
$ make
to get the executable ("STATE").~
Further, to generate utility programs, go to the utility ...
$ cd ../util
Edit "make.inc" according to your environment and type make
$ make
then the programs are installed in the util/bin directory.
** Setting up the environment [#t15ffc1b]
It is better to set a path to the utility programs. To do...
PATH=${PATH}:${HOME}/STATE/src/state-5.6.6/util/bin
and type
$ source ~/.bashrc
終了行:
* Preliminaries [#a0105277]
In this section, how to obtain code and pseudopotentials,...
#Contents
** Obtaining the code [#z1cffec7]
STATE is not (yet) in the public domain and please ask de...
** Compiling the code [#cf4ce527]
In this tutorial, we put source code, pseudopotentials, a...
-${HOME}/STATE/src
-${HOME}/STATE/gncpp
-${HOME}/STATE/outs
and we are going to use the version 5.6.6 of STATE (state...
copy the source code in the source directory (STATE/src) as
$ cp /source/directory/state-5.6.6.tgz .
where ">" indicates the command prompt.~
Untar the source code
$ tar zxf state-5.6.6.tgz
and get the source directory state-5.6.6/ in the current ...
Then change directory
$ cd state-5.6.6/src
and prepare Makefile (copy or make symbolic link to an ap...
$ ln -s ../arch/make.arch.intel_smith make.arc
After editing "make.arch" as appropriate, type make
$ make
to get the executable ("STATE").~
Further, to generate utility programs, go to the utility ...
$ cd ../util
Edit "make.inc" according to your environment and type make
$ make
then the programs are installed in the util/bin directory.
** Setting up the environment [#t15ffc1b]
It is better to set a path to the utility programs. To do...
PATH=${PATH}:${HOME}/STATE/src/state-5.6.6/util/bin
and type
$ source ~/.bashrc
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