Compillation of Quantum Espresso with CUDA and MPI library. To get NVIDIA HPC SDK please use the link below:
https://developer.nvidia.com/hpc-sdk
For MPI library :
https://www.open-mpi.org/
Configure flag:
configuration in TITAN V GPU
./configure --with-cuda=$NVHPC --with-cuda-cc=70 --with-cuda-runtime=11.2 --disable-parallel --enable-openmp --with-scalapack=no --prefix=
Required modules in Supercomputer
nvhpc-nompi/21.1

For MPI you can use the following modules:
gnu9/9.4.0 and openmpi/4.1.2

In the benchmark result I have used the Intel's OneAPI and results are in Github page
https://github.com/rpadhikari/QE_benc...
https://github.com/rpadhikari/QE_benc...