On 16.10.2015 09:14, Mikhail Stukan wrote:
Dear all,
I am facing the following problem during installation of GROMACS 5.1. After successful
run of cmake, make and make install the only executable file I have in corresponding bin
directory is "gmx" (actually gmx5.1single in my case). No usual grompp, mdrun
etc. From the analysis of make logs it looks like all the other files were compiled but
not linked.
The cmake string I use is
cmake -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=OFF -DGMX_DOUBLE=OFF
-DGMX_CPU_ACCELERATION=AVX_256
-DBUILD_SHARED_LIBS=OFF -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BINARY_SUFFIX=5.1single
-DGMX_LIBS_SUFFIX=5.1single
-DCMAKE_INSTALL_PREFIX:PATH=/home/mstukan/gmx-5.1single
When I tried to use option
-DGMX_BUILD_MDRUN_ONLY=ON
Required mdrun file was successfully compiled, linked and installed in
corresponding bin directory. However, all attempts to created full package
failed up to now.
I have previously installed 4.x.x and 5.0.x versions and never had problems
similar to this.
Since Aug 2015:
http://permalink.gmane.org/gmane.science.biology.gromacs.announce/39
" no more symlinks from grompp to gmx grompp, etc. (as forecast in
GROMACS 5) "
So, "mdrun" is "gmx mdrun" etc.
M.
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