[Debichem-devel] disabling PeIGS in libglobalarrays-dev

[Michael Banck]

Hi Drew, hi Jeff,

On Wed, Jan 08, 2020 at 11:18:52AM +0100, Michael Banck wrote:
> On Wed, Jan 08, 2020 at 12:22:25PM +0800, Drew Parsons wrote:
> > Hi Michael, the ga build has been missing symbols:
> > 
> >    ./.libs/libga.a(ga_diag.o): In function `gai_diag_std_':
> >    ga_diag.F:(.text+0xc65): undefined reference to `fmemreq_'
> >    ga_diag.F:(.text+0xecd): undefined reference to `pdspev_'
> > 
> > I raised the issue upstream at https://github.com/GlobalArrays/ga/issues/154
> > 
> > Jeff explained that these are PeIGS symbols, provided by nwchem.  It hasn't
> > been causing problems in practice since nwchem is the only program currently
> > using GA.
> > 
> > Nevertheless Jeff and his upstream coauthors recommend disabling PeIGS in GA
> > to avoid the problem, especially since scalapack is available for GA anyway.
> > 
> > You enabled PeIGS just in the previous Debian release, so I wanted to let
> > you comment. Should we go ahead and disable peigs, or keep it enabled all
> > the same?
> 
> Unfortunatey, it's been a year and I don't remember why I enabled it.
> So I suggest you/we disable it and see whether NWChem still builds/runs
> fine.

I've uploaded a new GA now which no longer enables peigs. I also fixed
the test suite which apparentyl has been broken for a long time on
Debian.

Curiously, I had to patch Makefile.am like this:
https://salsa.debian.org/debichem-team/ga/blob/master/debian/patches/testsuite_log_compiler.patch
Otherwise, inspecting the *.log files yielded errors like
'maybe_mpiexec=mpiexec: command not found'.

Jeff, do you have an idea how this is usually supposed to work? I'm
happy to file a bug or PR upstream but this seems like a pretty basic
thing so I am a bit surprised it doesn't work for everybody.

Also, ga++/testing/threadsafecpp.x hang on my notebook and I had to kill it :-/

The new results are:

# TOTAL: 78
# PASS:  65
# SKIP:  0
# XFAIL: 1
# FAIL:  12
# XPASS: 0
# ERROR: 0

Let's see what the autobuilders come up with.


Michael