Testing QUICK using runtest script

This page gives a summary of options available in QUICK runtest script and how to use it. If you want test QUICK manually, you must copy the script from $QUICK_HOME/tools into $QUICK_HOME or installation directory ($installdir). Then execute it as:

./runtest [flags]

Available flags

  • –serial: Tests a serial version. (Default)

  • –mpi: Tests MPI parallel version.

  • –cuda: Tests GPU version that utilizes a single NVIDIA GPU.

  • –cudampi: Tests multi-GPU version that utilizes multiple NVIDIA GPUs.

  • –hip: Tests GPU version that utilizes a single AMD GPU.

  • –hipmpi: Tests multi-GPU version that utilizes multiple AMD GPUs.

  • –ene: Run only energy tests.

  • –grad: Run only gradient tests.

  • –opt: Run only geometry optimization tests.

  • –api: Run only api tests.

  • –full: Run a large set of tests.

  • –nolog: Disable writing output into runtest.log.

  • –help: Prints help.

If the version flags are not specified, the script will try to detect the executables and test them.

Last updated by Madu Manathunga on 11/21/2022.