Compilation and Installation

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Go to the QE installation package directory.

   cd  /path/to/QE

3. Decompress the QE installation package.

   tar -xvf qe-6.4.1.tar.gz

4. Go to the directory generated after the decompression.

   cd q-e-qe-6.4.1/

5. Configure the dependency package environment.

   export BLAS_LIBS="-L/path/to/OPENBLAS/lib -lopenblas"
   export LAPACK_LIBS="-L/path/to/OPENBLAS/lib -lopenblas"
   export SCALAPACK_LIBS="-L/path/to/SCALAPACK -lscalapack"
   export DEFS="__PGI"

6. Perform configuration.

   ./configure --prefix=/opt/software/install/QE --enable-openmp ARCH=arm F77=flang F90=flang FC=flang CC=clang CFLAGS="-O3 -g -D__PGI -mcpu=native" FFLAGS="-O3 -g -D__PGI -mcpu=native" LDFLAGS="$LDFLAGS" MPIF90=mpifort MPIF77=mpifort CC=mpicc

7. Perform the compilation.

   make -j 2 pwall
   make install

8. Declare the environment variables.

   export PATH=/path/to/QE/bin:$PATH