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quantumespresso:インストール方法

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quantumespresso:インストール方法 [2020/12/31 16:08]
koudai [QuantumESPRESSOのインストール]
quantumespresso:インストール方法 [2021/06/27 22:04] (current)
Line 34: Line 34:
 $ ./configure MPIF90=mpiifort F90=ifort F77=ifort CC=gcc --enable-openmp --enable-parallel --with-scalapack=intel   # Intel Parallel Studio XE $ ./configure MPIF90=mpiifort F90=ifort F77=ifort CC=gcc --enable-openmp --enable-parallel --with-scalapack=intel   # Intel Parallel Studio XE
 $ ./configure MPIF90=mpiifort F90=ifort F77=ifort CC=icc CFLAGS="-D__PURE_INTEL_C99_HEADERS__" --enable-openmp --enable-parallel --with-scalapack=intel   # Cのコンパイラにiccがどうしても使いたい場合 $ ./configure MPIF90=mpiifort F90=ifort F77=ifort CC=icc CFLAGS="-D__PURE_INTEL_C99_HEADERS__" --enable-openmp --enable-parallel --with-scalapack=intel   # Cのコンパイラにiccがどうしても使いたい場合
-$ ./configure MPIF90=mpiifort F90=ifort F77=ifort CC=icc --enable-openmp --enable-parallel --with-scalapack=intel   # oneAPIを使う場合 
 $ make all $ make all
 </code> </code>
quantumespresso/インストール方法.1609398497.txt.gz · Last modified: 2021/06/27 22:00 (external edit)