[Q-e-developers] 'mpif.h' vs. 'include mpi' and regression tests

[Filippo SPIGA]

On Nov 22, 2016, at 6:42 PM, Paul Kapinos <kapinos at itc.rwth-aachen.de> wrote:
> Well, you can
> - use a subpath of ESPRESSO_ROOT
> - use (a subpath of) $TMP envvar which is often set in 'good' environments, e.g. "export ESPRESSO_TMPDIR=$TMP/tmp/save/"  will work for both cases when $TMP is set and when not (in latter case as failback to current state)
> - use '$$' aka PID if actual shell as distinguisher...
> - very likely, do a lot of much more intelligent things.


It is probably better to customize the variable in a unique way within run-* scripts to point on a different directory.

The best intelligent thing to do is to use the right tool for the right job. 

First, to deploy different version of QE try use SPACK. It helps _a lot_ to automate builds and related dependencies. Then you can sandbox multiple executions of QE and related test-suite using JUBE. it just a matter of create an appripriate XML file for your tests with the right steps definition and put adequate placeholders in the right scripts in order to setup various uniquely output directories. "jube run ..." and the job is done.

If you _really_ want to run simultaneously multiple tests within the same "configuration" then, as reported in another email, the current version of test-suite does not support this feature at the moment. However you can run the multiple test simultaneously by submitting each of them on your job scheduler. test-suite has a rudimental support for this, it needs some manual tuning to work properly. 

Last but not least, you can grab the test-suite source code (called "testcode) and add the funcitonalities you need. it is python code. I've just created a fork on GitHub if you want to contribute, it is BSD-3 [1].

HTH

[1] https://github.com/QEF/testcode

--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org