第一原理分子動力学プログラム STATE Senri Wiki
開始行:
*Installation [#ha1766e1]
Let us make the AENET directory in the home directory as ...
$ cd
$ mkdir -p ~/AENET/src
and go to the source directory
$ cd AENET/src
Download the tar ball
$ wget http://ann.atomistic.net/files/aenet-2.0.3.tar.bz2
and untar it:
$ tar jxvf aenet-2.0.3.tar.bz2
Go to the source directory
$ cd aenet-2.0.3
Then we first compile the L-BFGS library.
Go to the lib/ directory
$ cd lib
Change the compiler as appropriate (I use ifort in this c...
FC = ifort -c
and build
$ make
Then go to the source directory
$ cd ../src
and make
$ make -f makefiles/Makefile.ifort_intelmpi
If the compilation is finished successfully, we obtain th...
generate.x-2.0.3-ifort_intelmpi predict.x-2.0.3-ifort_i...
終了行:
*Installation [#ha1766e1]
Let us make the AENET directory in the home directory as ...
$ cd
$ mkdir -p ~/AENET/src
and go to the source directory
$ cd AENET/src
Download the tar ball
$ wget http://ann.atomistic.net/files/aenet-2.0.3.tar.bz2
and untar it:
$ tar jxvf aenet-2.0.3.tar.bz2
Go to the source directory
$ cd aenet-2.0.3
Then we first compile the L-BFGS library.
Go to the lib/ directory
$ cd lib
Change the compiler as appropriate (I use ifort in this c...
FC = ifort -c
and build
$ make
Then go to the source directory
$ cd ../src
and make
$ make -f makefiles/Makefile.ifort_intelmpi
If the compilation is finished successfully, we obtain th...
generate.x-2.0.3-ifort_intelmpi predict.x-2.0.3-ifort_i...
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