[gmx-developers] Compiling mdrun-gpu

[Christian Mötzing]

Sorry for the inconvenience then. Will try the solution.

Why did I not get the post if they are from a few hours ago? Strange.


Am Mittwoch, den 08.12.2010, 13:22 -0500 schrieb Justin A. Lemkul: 
> 
> Christian Mötzing wrote:
> > Hi,
> > 
> > I tried to compile the gpu version of gromacs.
> > As stated in one list entry before I created an extra folder from where
> > I call cmake.
> > What I do is:
> > 
> > export OPENMM_ROOT_DIR="PATH/OpenMM" cmake -DGMX_OPENMM=ON
> > -DCMAKE_INSTALL_PREFIX=PATH/gromacs-gpu
> > -DGMX_THREADS=OFF ../gromacs-git-current/src
> > 
> 
> I would start by not pointing to the /src subdirectory.  Many of these same 
> errors just came up in a post a few hours ago, along with a (possible) solution. 
>   The appropriate installation instructions:
> 
> http://www.gromacs.org/Developer_Zone/Cmake#Using_CMake
> 
> -Justin
> 
> > What I get is:
> > 
> > CMake Error at gmxlib/CMakeLists.txt:146 (set_target_properties):
> >   set_target_properties called with incorrect number of arguments.
> > 
> > 
> > CMake Error at gmxlib/CMakeLists.txt:148 (install):
> >   install TARGETS given no ARCHIVE DESTINATION for static library target
> >   "gmx".
> > 
> > 
> > CMake Error at mdlib/CMakeLists.txt:11 (set_target_properties):
> >   set_target_properties called with incorrect number of arguments.
> > 
> > 
> > CMake Error at mdlib/CMakeLists.txt:13 (install):
> >   install TARGETS given no ARCHIVE DESTINATION for static library target
> >   "md".
> > 
> > 
> > CMake Error at kernel/CMakeLists.txt:44 (set_target_properties):
> >   set_target_properties called with incorrect number of arguments.
> > 
> > 
> > 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.
> > 
> > I tried gromacs 4.5.3 as well as the current git code. I also switched
> > between cmake 2.8.2, 2.6.4 and 2.6.2. Nothing makes a difference.
> > I even cant make a normal build of gromacs with cmake as suggested in
> > the list.
> > 
> > Any ideas?
> > 
> > 
> > 
> 
> -- 
> ========================================
> 
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
> ========================================