User Tools

Site Tools


quantumespresso:インストール方法

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
quantumespresso:インストール方法 [2020/12/31 16:07]
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 33: Line 33:
 $ ./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 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   # 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.1609398473.txt.gz · Last modified: 2021/06/27 22:00 (external edit)