[gmx-users] Cannot find "gmx_mpi" when installing gromacs 5.0

[朱文鹏]

Dear all,

I am trying to install gromacs 5.0 by cmake on my cluster. But an error
occurs when I "make install".

The "module list" for environment is given as below:
mvapich2/2.0rc1-intel
cmake/2.8.12.2
intel/2013.1.106
fftw/3.3.2

And the sequence of commands to execute is:
-------------------------------------------------------
cmake ../ \
-DCMAKE_C_COMPILER=mpicc \
-DCMAKE_CXX_COMPILER=mpicxx \
-DGMX_X11=OFF \
-DGMX_MPI=ON \
-DCMAKE_INSTALL_PREFIX=/users/yli/gromacs-5.0/exec \
-DCMAKE_INCLUDE_PATH=/gpfs/runtime/opt/fftw/3.3.2/include \
-DCMAKE_LIBRARY_PATH=/gpfs/runtime/opt/fftw/3.3.2/lib/libfftw3f.a

make

make install
-------------------------------------------------------

Configuration and "make" finished successfully. There are no errors or
warnings on the first two steps. However, an error shows up at the final
step of "make install" as below:
---------------------------
..........
-- Up-to-date:
/users/yli/gromacs-5.0/exec/include/gromacs/trajectoryanalysis/analysismodule.h
-- Up-to-date:
/users/yli/gromacs-5.0/exec/include/gromacs/trajectoryanalysis/analysissettings.h
-- Up-to-date:
/users/yli/gromacs-5.0/exec/include/gromacs/trajectoryanalysis/cmdlinerunner.h
CMake Error at src/programs/cmake_install.cmake:42 (FILE):
  file INSTALL cannot find "/users/yli/gromacs-5.0/exec/bin/gmx_mpi".
Call Stack (most recent call first):
  src/cmake_install.cmake:40 (INCLUDE)
  cmake_install.cmake:49 (INCLUDE)


make: *** [install] Error 1
---------------------------

And the executable file "gmx_mpi" cannot be found anywhere. It is the first
time I install the version 5.0. The same installation and environments work
for the version 4.6.5. I am wondering if anyone has the same problems when
installing gromacs 5.0. I would appreciate it if you have any suggestion to
my installation.

Thank you very much.

Best,
Jason