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wien2k:インストール_19.1 [2020/07/01 19:35] koudai [コンパイル(Ubuntu18.04 + WIEN2k_19.1 + Intel Parallel Studio XE 2019)] |
wien2k:インストール_19.1 [2021/04/03 03:54] koudai [準備] |
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- | ====== | + | ====== |
以下のソフトを事前にインストールしてください。 | 以下のソフトを事前にインストールしてください。 | ||
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* tcsh | * tcsh | ||
* XCrySDen | * XCrySDen | ||
- | * FFTW3(MPI版) | + | * MPIでコンパイルしたFFTW3 |
- | * Libxc | + | * < |
* C/ | * C/ | ||
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- [Your compiler:] cc (Intelコンパイラは非推奨) | - [Your compiler:] cc (Intelコンパイラは非推奨) | ||
- Specify LIBXC settings | - Specify LIBXC settings | ||
- | - [Would you like to use LIBXC (that you have installed)? (y, | + | - [Would you like to use LIBXC (that you have installed)? (y,N):] n |
- | - [Do you want to automatically search for LIBXC installations? | + | |
- | - [Please specify a comma separated list of directories to search! (If no list is entered, /usr/local and /opt will be searched as default):] /opt/ | + | |
- | - [Is this the correct directory? (Y,n):] y | + | |
- Specify FFTW settings | - Specify FFTW settings | ||
- [Do you want to use FFTW (recommended, | - [Do you want to use FFTW (recommended, | ||
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- [Please specify the name of your FFTW library or accept present choice (enter):] Enter | - [Please specify the name of your FFTW library or accept present choice (enter):] Enter | ||
- [Is this correct? (Y,n):] y | - [Is this correct? (Y,n):] y | ||
+ | - [Selection: | ||
- Configure Parallel Execution | - Configure Parallel Execution | ||
- [Shared Memory Architecture? | - [Shared Memory Architecture? |