[gmx-users] Simulations on GPU

[Igor Leontyev]

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 The beta versions are all outdated, could you please use the latest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
CMake Error at gmxlib/CMakeLists.txt:124 (set_target_properties):
  set_target_properties called with incorrect number of arguments.


CMake Error at gmxlib/CMakeLists.txt:126 (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:43 (set_target_properties):
  set_target_properties called with incorrect number of arguments.


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.

-- Configuring incomplete, errors occurred!