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wien2k:インストール_21.1 [2021/04/29 15:29]
koudai [コンパイル(Ubuntu20.04 + WIEN2k_21.1 + Intel OneAPI 2021.1)]
wien2k:インストール_21.1 [2022/11/30 17:53] (current)
koudai [ユーザーごとの設定]
Line 5: Line 5:
   * tcsh   * tcsh
   * XCrySDen   * XCrySDen
-  * MPIでコンパイルしたFFTW3+  * MPIでコンパイルした[[数値計算ライブラリ:FFTW3]]
     * FFTWをビルドする際に<nowiki>--enable-openmp</nowiki> のフラグをつけた場合はうまく行きませんでした     * FFTWをビルドする際に<nowiki>--enable-openmp</nowiki> のフラグをつけた場合はうまく行きませんでした
   * C/C++とFortranのコンパイラ。Intel Parallel Studio XE 推奨   * C/C++とFortranのコンパイラ。Intel Parallel Studio XE 推奨
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       - Specify FFTW settings       - Specify FFTW settings
         - [Do you want to automatically search for FFTW installations? (Y,n):] y         - [Do you want to automatically search for FFTW installations? (Y,n):] y
-        - [Please specify a comma separated list of directories to search! (If no list is entered, /usr/local and /opt will be searched as default):/usr/local+        - [Please specify a comma separated list of directories to search! (If no list is entered, /usr/local and /opt will be searched as default):Enter
         - [Do you want to use a FFTW version from the list above? (Y,n):] y         - [Do you want to use a FFTW version from the list above? (Y,n):] y
         - [Please enter the line number of the chosen version or enter 0 to manually specify your choice!:] Enter         - [Please enter the line number of the chosen version or enter 0 to manually specify your choice!:] Enter
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   - Specify your program to read pdf files (default is acroread) (on some Linux systems use xpdf): evince   - Specify your program to read pdf files (default is acroread) (on some Linux systems use xpdf): evince
   - Set PDFREADER to  evince (Y/n): y   - Set PDFREADER to  evince (Y/n): y
-  - How many cores do you want to use by default (4):  (パソコンのコア数を入力。コマンドnprocで調べられる)+  - How many cores do you want to use by default (4):  (パソコンのコア数を入力)
   - Set OMP_NUM_THREADS to  コア数 (Y/n): y   - Set OMP_NUM_THREADS to  コア数 (Y/n): y
   - Do you want to continue (Y/n)?: y   - Do you want to continue (Y/n)?: y
wien2k/インストール_21.1.1619677757.txt.gz · Last modified: 2021/06/27 22:01 (external edit)