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

[chris.neale at utoronto.ca]

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.