GitLab

Welcome to the Quantum ESPRESSO wiki pages.

• User information:

  • NGC Docker for GPUs
  • Building with CMake

• Known problems in the latest stable release and in the development version:

  • Spin-polarized glitches
  • Variable cell and hybrid functionals
  • Nasty relativistic PAW bug in QE 6.7
  • Error in phonon restart
  • QE 6.7 and nvfortran (formerly PGI) compiler
  • Assumed-shape array and Type mismatch errors with gfortran
  • Segmentation fault in zdotc, phonon code (gfortran or MacOS)
  • No input file error on MacOS
  • Patch for old Intel compilers

• Developer information (replaces the old developer manual):

  • General information for developers
  • How to contribute using git
  • Test suite and test farm
  • Programming guidelines (proposed)
  • FORD documentation (draft)
  • Autoconf and make
  • Format of data files
  • Parallelization