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.....
>
> ....dac
>
>
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Received on Tue Mar 08 2022 - 10:30:02 PST
