Hello Maik, Loris, On Wed, Feb 19, 2020 at 11:45 PM Maik Schmidt <[email protected]> wrote:
> Hi Loris, > > just yesterday, I opened an issue concerning the very same problem, see: > > https://github.com/easybuilders/easybuild-easyblocks/issues/1965 > https://github.com/easybuilders/easybuild-easyblocks/pull/1967 > > This adds the NetCDF-4 support. No MPI-IO and METIS ordering support > yet, though. Maybe this should be added to the easyblock, too. > This has now been added in [1] and see in particular comment [2] The new Siesta-4.1-MaX-1.0 easyconfigs, last updated in [3], are the best way to take advantage of all of recent changes to the Siesta easyblock, including support for ELSI solvers, which bring significant improvements in performance and scalability. Since it also depends on the new ELSI's easyconfigs and easyblock, Is suppose the simplest way to try these is from up-to-date develop branches, or to wait for the next release. Cheers, Miguel [1] https://github.com/easybuilders/easybuild-easyblocks/pull/1973 [2] https://github.com/easybuilders/easybuild-easyblocks/pull/1973#issuecomment-591114921 [3] https://github.com/easybuilders/easybuild-easyconfigs/pull/9936 > Best, > Maik > > Am 19.02.20 um 16:29 schrieb Loris Bennett: > > Hi, > > > > I'm having difficulty getting tbtrans from Siesta to use NetCDF 4. > > Apparently, when tbtrans is run it should print out > > > > PARALLEL version > > NetCDF support > > NetCDF-4 support > > NetCDF-4 MPI-IO support > > METIS ordering support > > > > but I just get > > > > PARALLEL version > > NetCDF support > > > > The script to build the version of netCDF which comes with Siesta > > implies that the following flags need to be set > > > > FPPFLAGS += -DCDF -DNCDF -DNCDF_4 > > > > Thus I changed the following line in the Siesta easyblock from > > > > (r"^(FPPFLAGS\s*=.*)$", r"\1 -DCDF > $(NETCDF_INCLUDE)"), > > > > to > > > > (r"^(FPPFLAGS\s*=.*)$", r"\1 -DCDF -DNCDF -DNCDF_4 > $(NETCDF_INCLUDE) "), > > > > but I still don't get > > > > NetCDF-4 support > > > > The Siesta documentation also mentions setting > > > > COMP_LIBS += libncdf.a libfdict.a > > > > in order to compile against the Siesta version of NetCDF. This seems to > > conflict with > > > > libnetcdff.a > > > > which is the static library provided by the EC for netCDF-Fortran. > > > > Any ideas? > > > > Cheers, > > > > Loris > > > > -- > Maik Schmidt > HPC Services > > Technische Universität Dresden > Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH) > Andreas-Pfitzmann-Bau E049 > D-01187 Dresden > Telefon: +49 351 463-32836 > > >
