[gmx-developers] Compiling mdrun-gpu

[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

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