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

[Mark Abraham]

I'd guess your permissions on some part of
/users/yli/gromacs-5.0/exec/bin/gmx_mpi
are such that you can't access.

Mark


On Thu, Aug 28, 2014 at 4:06 AM, 朱文鹏 <jasonzhu925 at gmail.com> wrote:

> 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
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