easybuild-easyblocks
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Enhance MPI support in molpro.py.
Don't touch the LAUNCHER, the default works as is and the old replacement code broke the code since it changed multiple LAUNCHER instances. Also reduce optimization to -O2, intel coredumps on some files. Finally turn on VERBOSE builds.
What is the LAUNCHER default? Unless it is srun
on JURECA it won't work.
The default is mpirun which normally works on slurm based systems.
But if that is an actual problem then that part of the code has to be rewritten a lot more carefully anyway. The code before this PR breaks things.
Anyway the previous code only changed it temporarily to the launcher determined by toolchain.mpi_cmd_for for usage during building of molpro.
@ocaisa Do you have a possibility of testing this on JURECA?
@boegel @ocaisa This could use a retest from you
@ocaisa still need a re-test from JURECA on this...
@akesandgren Don't hold this back for a test from me, mpirun
is not going to work at JSC but that's no reason to leave something broken in place.
In that case we need someone to review this, @boegel ??