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

朱文鹏 jasonzhu925 at gmail.com
Thu Aug 28 04:06:12 CEST 2014

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:

And the sequence of commands to execute is:
cmake ../ \
-DCMAKE_INSTALL_PREFIX=/users/yli/gromacs-5.0/exec \
-DCMAKE_INCLUDE_PATH=/gpfs/runtime/opt/fftw/3.3.2/include \


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:
-- Up-to-date:
-- Up-to-date:
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.


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