第一原理分子動力学プログラム STATE Senri Wiki
開始行:
*Installation [#v5c2a07e]
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
Change the compiler option as well, for e.g.,
FCFLAGS = -O2 -xSSE4.2 -axCOMMON-AVX512,CORE-AVX512,CORE...
and build
$ make
Then go to the source directory
$ cd ../src
modify "makefiles/Makefile.ifort_intelmpi": I add the fol...
-O2 -xSSE4.2 -axCOMMON-AVX512,CORE-AVX512,CORE-AVX2,CORE...
and make
$ make -f makefiles/Makefile.ifort_intelmpi
終了行:
*Installation [#v5c2a07e]
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
Change the compiler option as well, for e.g.,
FCFLAGS = -O2 -xSSE4.2 -axCOMMON-AVX512,CORE-AVX512,CORE...
and build
$ make
Then go to the source directory
$ cd ../src
modify "makefiles/Makefile.ifort_intelmpi": I add the fol...
-O2 -xSSE4.2 -axCOMMON-AVX512,CORE-AVX512,CORE-AVX2,CORE...
and make
$ make -f makefiles/Makefile.ifort_intelmpi
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