[gmx-users] What version of cmake is required to compile v4.5b2 for GPUs?

[Szilárd Páll]

Hi Chris,


First of all, as Rossen said, the <=2.6.4 is a typo, it was meant to
be >=2.6.4, it _should_ work with 2.8.0 (I took the FindCUDA.cmake
script from the 2.8 cmake sources :), but...

icc is _not_ supported by CUDA, AFAIR some people reported getting it
work but only in some very limited special cases.

Could you try with gcc and see if it works? Please get back to us if it doesn't!

Cheers,
--
Szilárd


On Tue, Aug 3, 2010 at 1:06 AM,  <chris.neale at utoronto.ca> wrote:
> Ah, I see that I need version <=2.6.4
>
> This info is on the web, but not in the INSTALL_GPU file... perhaps that
> file could include all of the information found here:
>
> http://www.gromacs.org/index.php?title=Download_%26_Installation/Related_Software/Gromacs_on_GPUs
>
> Thanks,
> Chris.
>
> -- original message --
>
> It seems that cmake 2.8.0 is not recent enough?
>
> I attempted to compile like this:
>
> cd /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2
> module purge
> module load intel
> module load cuda     #cuda 3.0
> module load cmake    #cmake 2.8.0
> export CC=icc
> export CXX=icpc
> cmake /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2/src
> -DGMX_OPENMM=ON -DGMX_THREADS=OFF
> make mdrun
> make install-mdrun
>
> #################################
>
> Here is the output that I get:
>
> -- The C compiler identification is Intel
> -- The CXX compiler identification is Intel
> -- Check for working C compiler:
> /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc
> -- Check for working C compiler:
> /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- works
> -- Detecting C compiler ABI info
> -- Detecting C compiler ABI info - done
> -- Check for working CXX compiler:
> /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc
> -- Check for working CXX compiler:
> /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- works
> -- Detecting CXX compiler ABI info
> -- Detecting CXX compiler ABI info - done
> CMake Error at gmxlib/CMakeLists.txt:110 (install):
>   install TARGETS given no ARCHIVE DESTINATION for static library target
>   "gmx".
>
>
> CMake Error at mdlib/CMakeLists.txt:12 (install):
>   install TARGETS given no ARCHIVE DESTINATION for static library target
>   "md".
>
>
> CMake Error at kernel/gmx_gpu_utils/CMakeLists.txt:18
> (CUDA_INCLUDE_DIRECTORIES):
>   Unknown CMake command "CUDA_INCLUDE_DIRECTORIES".
>
>
> CMake Warning (dev) in CMakeLists.txt:
>   No cmake_minimum_required command is present.  A line of code such as
>
>     cmake_minimum_required(VERSION 2.8)
>
>   should be added at the top of the file.  The version specified may be
> lower
>   if you wish to support older CMake versions for this project.  For more
>   information run "cmake --help-policy CMP0000".
> This warning is for project developers.  Use -Wno-dev to suppress it.
>
> -- Configuring incomplete, errors occurred!
> make: *** No rule to make target `mdrun'.  Stop.
> make: *** No rule to make target `install-mdrun'.  Stop.
>
>
> ############
>
> thank you,
> Chris.
>
>
>
>
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