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: Builds a serial version. (Default)
  • –mpi: Compiles MPI parallel version.
  • –cuda: Builds GPU version that utilizes a single NVIDIA GPU.
  • –cudampi: Builds multi-GPU version that utilizes multiple NVIDIA 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 03/21/2021.