第一原理分子動力学プログラム STATE Senri Wiki

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• 計算コードの使い方/STATE/コンパイル/5.6.3_en へ行く。
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*Compilation (version 5.6.3 or higher) [#mece7f61]

Expand the source code as

 gzip -c state-5.6.3.tgz | tar xf -

or 

 tar zxf state-5.6.3.tgz

to get a directory state-5.6.3 and subdirectories 

 README	arch/  build/  src/  util/

Go to src/ direcory, copy or make a symbolic link to one of make.arch* in ../arch

In the case of smith

 ln -s ../arch/make.arch.intel_smith make.arch

In the case of ito in Kyushu University

 ln -s ../arch/make.arch.intel_ito make.arch

On ito, we need to execute the following command or add it in ~/.bashrc

 module load intel/2018.3

(just in case it is better to add "export LANG=C" in ~/.bashrc)

Finally execute make
 make
to get the STATE executable.

To find how to specify the MKL library MKL, refer to [[Intel Math Kernel Library Link Line Adviser>https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor]].