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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 [2020/07/28 01:46]
koudai [QuantumESPRESSOのインストール]
quantumespresso:インストール方法 [2021/06/27 22:04] (current)
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 <code> <code>
 $ ./configure F90=gfortran F77=gfortran CC=gcc MPIF90=mpif90 --enable-openmp --enable-parallel  $ GNUコンパイラ $ ./configure F90=gfortran F77=gfortran CC=gcc MPIF90=mpif90 --enable-openmp --enable-parallel  $ GNUコンパイラ
-$ ./configure MPIF90=mpiifort F90=ifort F77=ifort CC=gcc --enable-openmp --enable-parallel --with-scalapack=intel   # Intelコンパイラ +$ ./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   # 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
 $ make all $ make all
 </code> </code>
quantumespresso/インストール方法.1595868382.txt.gz · Last modified: 2021/06/27 22:00 (external edit)