<div dir="ltr"><br><div class="gmail_extra"><br><br><div class="gmail_quote">On Tue, Feb 11, 2014 at 1:08 PM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div class="">On 2014-02-11 14:40, Roland Schulz wrote:<br>
> Hi,<br>
><br>
> why does TNG_USE_OPENMP even exist? Why would a user want to set<br>
> TNG_USE_OPENMP to something other than GMX_OPENMP? If it is really<br>
> needed I suggest making TNG_USE_OPENMP a multi-choice (on, off, auto),<br>
> where auto is the default and auto takes the value from GMX_OPENMP.<br>
><br>
</div>I guess because tng is also distributed as a separate package.<br></blockquote><div><br></div><div>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.</div>
<div><br></div><div>Roland</div><div><br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<div class=""><br>
> Roland<br>
><br>
><br>
> On Mon, Feb 10, 2014 at 1:36 PM, Mark Abraham <<a href="mailto:mark.j.abraham@gmail.com">mark.j.abraham@gmail.com</a><br>
</div><div class="">> <mailto:<a href="mailto:mark.j.abraham@gmail.com">mark.j.abraham@gmail.com</a>>> wrote:<br>
><br>
> Hi,<br>
><br>
> Good question. I think it may be unsolvable in the current setup.<br>
> The TNG CMakeLists.cmake declares TNG_USE_OPENMP in its cache in the<br>
> normal way, but since there is only one cache and GROMACS accesses<br>
> that file with add_subdirectory, that makes that variable exist on<br>
> the GROMACS cache. Now getting that variable to track GMX_OPENMP<br>
> unless set by the user might be hard.<br>
><br>
> Using gmx_dependent_option seems like it might work, but I have not<br>
> yet put enough time into reading/testing how those functions work. I<br>
> am not sure from reading the descriptions if it can implement "copy<br>
> this value unless at some point these two values differed." Unless<br>
> Teemu has some insight from how he built these, we might have to<br>
> experiment and then document/extend accordingly.<br>
><br>
> Alternative: I believe we can give TNG its own cache by using what<br>
> is called an external project. Since I don't think we need a<br>
> separate cache variable in the GROMACS configuration UI for this<br>
> OpenMP setting, this should side-step the above, because the TNG<br>
> CMake will always see the parent project set the OpenMP in the TNG<br>
> cache. Might have other benefits also.<br>
><br>
> Mark<br>
><br>
> On Feb 10, 2014 2:49 PM, "Szilárd Páll" <<a href="mailto:pall.szilard@gmail.com">pall.szilard@gmail.com</a><br>
</div><div><div class="h5">> <mailto:<a href="mailto:pall.szilard@gmail.com">pall.szilard@gmail.com</a>>> wrote:<br>
><br>
> Hi,<br>
><br>
> I'm trying to fix issue #1432, but I realized that I know very<br>
> little<br>
> about the gmxOptionUtilities cmake module, so I thought I'd ask for<br>
> comments and suggestions.<br>
><br>
> Here's what I need to do (ideally/if possible):<br>
> - The value of the TNG_USE_OPENMP cache variable should always have<br>
> the same value as GMX_OPENMP (even if the latter gets changed<br>
> multiple<br>
> times) *unless*<br>
> - The user manually set a value for the TNG_USE_OPENMP variable.<br>
><br>
> I'm guessing I should use the gmx_dependent_option() macro, but I'm<br>
> not sure how. Tips would be appreciated!<br>
><br>
> Cheers,<br>
> --<br>
> Szilárd<br>
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</div></div>> ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov" target="_blank">cmb.ornl.gov</a> <<a href="http://cmb.ornl.gov" target="_blank">http://cmb.ornl.gov</a>><br>
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</div><span class=""><font color="#888888">--<br>
David van der Spoel, Ph.D., Professor of Biology<br>
Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: <a href="tel:%2B46184714205" value="+46184714205">+46184714205</a>.<br>
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</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309
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