Hi,
I forgot to warn you of this gottchha which has bitten Dan and me:
make sure that your repo tree is clean before doing a make in build
(Issue 207).
There is an unpolished fix for this in branch
MAKE-CONFIGURE_CMAKE.PY-MORE_USER_FRIENDLY_ESPECIALLY_WRT_ITS_PUNCH_CARD_ERA_USE_OF_UPPERCASE
and a couple of merge requests coming to get it polished and in master;
scott
On Tue, Mar 08, 2022 at 01:47:44PM -0500, Scott Brozell wrote:
> Hi,
>
> configure_cmake.py is a work in progress, but its intentions are
> use command line options, avoid punch card era UPPERCASE, have
> sensible defaults, ...
>
> cd build
> ./configure_cmake.py --cuda
>
> I think you can then do this
> make pmemd.bla
>
> There is something in the wiki cmake docs about building individual
> programs; and guess what ? ! ?
> configure_cmake.py -h
> will spew that url.
>
> scott
>
> > How do I separately build pmemd.cuda_* without all of its annoying friends
> > I don't want to invite to the party?
>
> On Tue, Mar 08, 2022 at 10:23:56AM -0800, Scott Le Grand wrote:
> > So I see I have to physicall modify run_cmake to support CUDA. Why not
> > parse the command line and override defaults to reproduce the best part
> > about the configure script we just had to deprecate because reasons? I
> > still cannot build pmemd.cuda_SPFP which is all I want to do here so I can
> > integrate the energy drift fix.
> >
> > On Tue, Mar 8, 2022 at 4:46 AM David A Case <david.case.rutgers.edu> wrote:
> >
> > > On Mon, Mar 07, 2022, Scott Le Grand wrote:
> > >
> > > >For example:
> > > >gfortran --version
> > > >GNU Fortran (Ubuntu 8.4.0-1ubuntu1~16.04.1) 8.4.0
> > > >
> > > >but dumping the correct variables within cmake I get:
> > > >CMAKE_CXX_COMPILER_VERSION=5.4.0
> > > >CMAKE_Fortran_COMPILER_VERSION=5.4.0
> > > >CMAKE_Fortran_COMPILER_VERSION=5.4.0
> > >
> > > Did you remove the CMakeCache.txt file that might be left over from a
> > > previous run? Of, run the "clean_build" script in the build folder?
> > >
> > > The lowest version of GNU compilers now accepted is version 6, since (among
> > > other things) that is required by the NVIDIA 11.x toolkits. We had
> > > discussed getting a early check on this into the cmake build, but I guess
> > > that never got accomplished.....
>
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Received on Tue Mar 08 2022 - 11:00:03 PST
