Hi,
I'm trying to build siesta for someone on our HPC cluster and need to
validate it before handing over. This isn't my problem domain and I'm
trying to do this using the bundled test suite.
Would anyone be able to help me, please?
There seem to be two methods in the Tests directory, both with problems:
1) Running std-compare.sh after "make"
This script tries to use a reference directory that no longer exists!
Altering the line "diff $i/$i.out ${REFERENCE}/$i/$i.out" to
"diff $i/$i.out ../../Tests/Reference/$i.out" seems to do the trick...
but it generates a whopping amount of output, much of it obviously
irrelevant.
2) Using the xmlcheck sub-Makefile target
This looks very promising, as there is a tolerances.dat file which
presumably allows a reasonable difference to the reference results.
However, it's not easy to run as-is, so wonder if this is an approved
method. I found that I needed to edit test.mk to add an "../" and edit
Makefile to replace "completed" with "xmlcheck".
Then, to cap it all, "std-compare.sh" includes the following comment,
which makes me wonder if I should give up:
# Please note that the Reference directory was populated
# with runs with the Intel compiler, which is notoriously flaky.
Please, what should I be doing??
Thanks for reading,
Mark
