[gmx-developers] [RFC] setting up dependency between GMX_OPENMP and TNG_USE_OPENMP

[Roland Schulz]

On Tue, Feb 11, 2014 at 1:08 PM, David van der Spoel
<spoel at xray.bmc.uu.se>wrote:

> On 2014-02-11 14:40, Roland Schulz wrote:
> > Hi,
> >
> > why does TNG_USE_OPENMP even exist? Why would a user want to set
> > TNG_USE_OPENMP to something other than GMX_OPENMP? If it is really
> > needed I suggest making TNG_USE_OPENMP a multi-choice (on, off, auto),
> > where auto is the default and auto takes the value from GMX_OPENMP.
> >
> I guess because tng is also distributed as a separate package.
>

That would explain why we need the variable TNG_USE_OPENMP, but not why
that variable ever needs to be different than GMX_OPENMP. If there is no
need for the user to be able to choose them independent, then it is
trivial, because we can simply set TNG_USE_OPENMP to GMX_OPENMP.

Roland


> > Roland
> >
> >
> > On Mon, Feb 10, 2014 at 1:36 PM, Mark Abraham <mark.j.abraham at gmail.com
> > <mailto:mark.j.abraham at gmail.com>> wrote:
> >
> >     Hi,
> >
> >     Good question. I think it may be unsolvable in the current setup.
> >     The TNG CMakeLists.cmake declares TNG_USE_OPENMP in its cache in the
> >     normal way, but since there is only one cache and GROMACS accesses
> >     that file with add_subdirectory, that makes that variable exist on
> >     the GROMACS cache. Now getting that variable to track GMX_OPENMP
> >     unless set by the user might be hard.
> >
> >     Using gmx_dependent_option seems like it might work, but I have not
> >     yet put enough time into reading/testing how those functions work. I
> >     am not sure from reading the descriptions if it can implement "copy
> >     this value unless at some point these two values differed." Unless
> >     Teemu has some insight from how he built these, we might have to
> >     experiment and then document/extend accordingly.
> >
> >     Alternative: I believe we can give TNG its own cache by using what
> >     is called an external project. Since I don't think we need a
> >     separate cache variable in the GROMACS configuration UI for this
> >     OpenMP setting, this should side-step the above, because the TNG
> >     CMake will always see the parent project set the OpenMP in the TNG
> >     cache. Might have other benefits also.
> >
> >     Mark
> >
> >     On Feb 10, 2014 2:49 PM, "Szilárd Páll" <pall.szilard at gmail.com
> >     <mailto:pall.szilard at gmail.com>> wrote:
> >
> >         Hi,
> >
> >         I'm trying to fix issue #1432, but I realized that I know very
> >         little
> >         about the gmxOptionUtilities cmake module, so I thought I'd ask
> for
> >         comments and suggestions.
> >
> >         Here's what I need to do (ideally/if possible):
> >         - The value of the TNG_USE_OPENMP cache variable should always
> have
> >         the same value as GMX_OPENMP (even if the latter gets changed
> >         multiple
> >         times) *unless*
> >         - The user manually set a value for the TNG_USE_OPENMP variable.
> >
> >         I'm guessing I should use the gmx_dependent_option() macro, but
> I'm
> >         not sure how. Tips would be appreciated!
> >
> >         Cheers,
> >         --
> >         Szilárd
> >         --
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> >
> >
> >
> > --
> > ORNL/UT Center for Molecular Biophysics cmb.ornl.gov <
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>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
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