第一原理分子動力学プログラム STATE Senri Wiki
開始行:
* Installation [#v7a7b5f0]
This is record of an attempt to build QE 6.1 on Mac M1 wi...
#Contents
** System [#uc15e1f3]
QE 6.8 was build on the following environment:
- Mac M1 (ARM64)
- gfortran [gcc version 11.1.0 (Homebrew GCC 11.2.0)
- open-mpi (4.1.1)
** Prep [#i3520938]
Let us first make directories for source codes, pseudopot...
$ mkdir -p QE/src
$ mkdir -p QE/pseudo
$ mkdir -p QE/out
** Download [#q4b59cc9]
Execute the following
$ git clone -b 'qe-6.8' --depth 1 https://gitlab.com/QEF...
** Build [#t45856ab]
In the source directory [${HOME}/QE/src], we execute
$ ./configure DFLAGS='-D__FFTW3 -D__MPI' LAPACK_LIBS='$(...
and confirm that make.inc is appropriate. If not, edit ma...
Here it is assumed that local LAPACK and FFTW3 are used. ...
Then type
make pw
終了行:
* Installation [#v7a7b5f0]
This is record of an attempt to build QE 6.1 on Mac M1 wi...
#Contents
** System [#uc15e1f3]
QE 6.8 was build on the following environment:
- Mac M1 (ARM64)
- gfortran [gcc version 11.1.0 (Homebrew GCC 11.2.0)
- open-mpi (4.1.1)
** Prep [#i3520938]
Let us first make directories for source codes, pseudopot...
$ mkdir -p QE/src
$ mkdir -p QE/pseudo
$ mkdir -p QE/out
** Download [#q4b59cc9]
Execute the following
$ git clone -b 'qe-6.8' --depth 1 https://gitlab.com/QEF...
** Build [#t45856ab]
In the source directory [${HOME}/QE/src], we execute
$ ./configure DFLAGS='-D__FFTW3 -D__MPI' LAPACK_LIBS='$(...
and confirm that make.inc is appropriate. If not, edit ma...
Here it is assumed that local LAPACK and FFTW3 are used. ...
Then type
make pw
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