第一原理分子動力学プログラム STATE Senri Wiki
開始行:
*Compilation (version 5.6.5) [#z1dd67de]
Expand the source code as
gzip -c state-5.6.5.tgz | tar xf -
or
tar zxf state-5.6.5.tgz
to get a directory state-5.6.3 and subdirectories
README arch/ build/ src/ util/
Then apply the latest patch in the state-5.6.3 directory,...
patch -p1 < ./state-5.6.5-20180409.path
Go to src/ direcory, copy or make a symbolic link to one ...
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 i...
module load intel/2018.3
(just in case it is better to add "export LANG=C" in ~/.b...
Finally execute make
make
to get the STATE executable.
To find how to specify the MKL library MKL, refer to [[In...
終了行:
*Compilation (version 5.6.5) [#z1dd67de]
Expand the source code as
gzip -c state-5.6.5.tgz | tar xf -
or
tar zxf state-5.6.5.tgz
to get a directory state-5.6.3 and subdirectories
README arch/ build/ src/ util/
Then apply the latest patch in the state-5.6.3 directory,...
patch -p1 < ./state-5.6.5-20180409.path
Go to src/ direcory, copy or make a symbolic link to one ...
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 i...
module load intel/2018.3
(just in case it is better to add "export LANG=C" in ~/.b...
Finally execute make
make
to get the STATE executable.
To find how to specify the MKL library MKL, refer to [[In...
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