Error of compiling gromacs after patching plumed

User discussions
1

GROMACS version: 2020.5

Dear all:

I am a beginner using PLUMED and gromacs and I have some errors when compiling gromacs after patching plumed. I have installed plumed and patched plumed. I used the code in the following to install gromacs:

tar xfz gromacs-2020.5.tar.gz

cd gromacs-2020.5

mkdir build

cd build

cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON

make

And the error occurs:

[ 1%] Built target fftwBuild

[ 5%] Built target thread_mpi

[ 5%] Built target scanner

[ 7%] Generating release version information

– The source code for this GROMACS installation is different from the officially released version.

[ 7%] Built target release-version-info

[ 8%] Built target tng_io_obj

[ 10%] Built target tng_io_zlib

[ 10%] Built target lmfit_objlib

[ 10%] Built target linearalgebra

[ 11%] Built target modularsimulator

[ 11%] Built target vmddlopen

[ 11%] Generating baseversion-gen.cpp

Consolidate compiler generated dependencies of target libgromacs

[ 11%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdlib/force.cpp.o

/Users/jiaxinyuan/Downloads/gromacs-2020.5/src/gromacs/mdlib/force.cpp:383:5: error:

expected unqualified-id

if(plumedswitch){

^

1 error generated.

make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/mdlib/force.cpp.o] Error 1

make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2

make: *** [all] Error 2

2

Unfortunately, this looks like an issue in the PLUMED patching process not in GROMACS, so will probably have a better chance to get help on the PLUMED mailing list/forum.

Cheers,
Szilard