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Download HPC-X from ISC23 SCC Getting Started with Bridges-2 Cluster or try Intel MPI.
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tar xfp qe-7.1-ReleasePack.tar.gz cd qe-7.1 source /jet/packages/intel/oneapi/compiler/2022.1.0/env/vars.sh source /jet/packages/intel/oneapi/mkl/2022.1.0/env/vars.sh MPI=intelmpi MPI=hpcx if [[ "$MPI" =~ ^intel ]]; then source /jet/packages/intel/oneapi/mpi/2021.6.0/env/vars.sh COMP="CC=mpiicc CXX=mpiicpc FC=mpiifort F90=mpiifort MPIF90=mpiifort" SCA="--with-scalapack=intel" elif [[ "$MPI" =~ ^hpcx ]]; then module use $HOME/hpcx-2.13.1/modulefiles module load hpcx export OMPI_MPICC=icc export OMPI_MPICXX=icpc export OMPI_MPIFC=ifort export OMPI_MPIF90=ifort COMP="CC=mpicc CXX=mpicxx FC=mpif90 F90=mpif90" fi which mpicc BASE=$PWD INSDIR=$BASE/../qe-7.1-$MPI ./configure --enable-parallel --prefix=$INSDIR \ --enable-openmp \ CFLAGS=" -O3 " \ FCFLAGS=" -O3 " \ F90FLAGS="-O3 " \ $SCA $COMP make -j 32 cp pw 2>&1 | tee $BASE/build-${MPI}.log make install | tee -a $BASE/build-${MPI}.log |
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