pw2qmcpack.x gives segmentation error for converting DFT+U+V wavefunctions

[kayahans]

Describe the bug
Using QE 7.4, pw2qmcpack.x executable gives segmentation error when it tries to convert DFT+U+V wavefunctions. Using the identical procedure and settings (SCF, NSCF, pw2qmcpack.x) DFT+U wave functions are converted with no issues.

pw2qmcpack.x is part of QE right now, but I guess @ye-luo is the only person maintaining it, so I am posting it here.

To Reproduce
Steps to reproduce the behavior:
I tested it on two computers. Please see the attached files for reproducing the issue. If you like to have the wavefunctions, please contact me I will transfer them to a suitable location for you.

dft_uv_io.zip

ORNL-Baseline:

1. QE 7.4 stable version
2. module purge; module load DefApps intel/20.0.4 openmpi/4.0.4 hdf5/1.14.3 cmake/3.26.3
3. cmake -DQE_ENABLE_PLUGINS=“pw2qmcpack” -DCMAKE_C_COMPILER=mpicc -DCMAKE_Fortran_COMPILER=mpif90 -DQE_ENABLE_HDF5=ON ..

NERSC Perlmutter (using compilation script that @aannabe provided):

1. QE 7.4 stable version
2. module load cpu
   module load cray-hdf5-parallel/1.12.2.9
   module load cray-fftw
   module load cmake
   module list

export HDF5_ROOT=$HDF5_DIR
export HDF5_LIBRARIES=$HDF5_DIR/lib
export HDF5_INCLUDE_DIRS=$HDF5_DIR/include
3. cmake -DCMAKE_C_COMPILER=cc -DCMAKE_Fortran_COMPILER=ftn -DCMAKE_SYSTEM_NAME=CrayLinuxEnvironment -DQE_ENABLE_PLUGINS=pw2qmcpack -DQE_ENABLE_HDF5=ON ..

Expected behavior
Execution of pw2qmcpack.x should not depend on the functional used in QE.

System:

• ORNL baseline and NERSC perlmutter