[gmx-users] Installation of GROMACS 5.1
mirco.wahab at chemie.tu-freiberg.de
Fri Oct 16 10:55:25 CEST 2015
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
> When I tried to use option
> 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:
" no more symlinks from grompp to gmx grompp, etc. (as forecast in
GROMACS 5) "
So, "mdrun" is "gmx mdrun" etc.
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