[gmx-users] Simulations on GPU

[Rossen Apostolov]

  Hi,


On 10/6/10 3:48 AM, Igor Leontyev wrote:
> Szilárd wrote:
>> The beta versions are all outdated, could you please use the latest
>> source distribution (4.5.1) instead (or git from the
>> release-4-5-patches branch)?
>
> The result is the same for both the distribution 4.5.1 and git from 
> the release-4-5-patches. See the output bellow.
> =========================================
>
> PATH=/usr/local/opt/bin/mpi/openmpi-1.4.2/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games 
>
> LD_LIBRARY_PATH=/usr/local/opt/bin/mpi/openmpi-1.4.2/lib:/home/leontyev/programs/bin/cuda/lib64: 
>
> CPPFLAGS=-I//usr/local/opt/bin/gromacs/fftw-3.2.2/single_sse/include 
> -I//usr/local/opt/bin/mpi/openmpi-1.4.2/include
> LDFLAGS=-L//usr/local/opt/bin/gromacs/fftw-3.2.2/single_sse/lib 
> -L//usr/local/opt/bin/mpi/openmpi-1.4.2/lib
> OPENMM_ROOT_DIR=/home/leontyev/programs/bin/gromacs/gromacs-4.5.1-git/openmm 
>
>
> cmake src -DGMX_OPENMM=ON -DGMX_THREADS=OFF 
> -DCMAKE_INSTALL_PREFIX=/home/leontyev/programs/bin/gromacs/gromacs-4.5.1-git

You have give as an argument to CMake the path the the gromacs/ 
directory, not the gromacs/src subdirectory!

Rossen

> CMake Error at gmxlib/CMakeLists.txt:124 (set_target_properties):
>  set_target_properties called with incorrect number of arguments.
>