diff --git a/patches/gromacs-2016.config b/patches/gromacs-2016.config index 03f65f9e10a72823dcc4648c695166cffa631af6..ef1f8956558db8698e979d0b134694468398dea9 100644 --- a/patches/gromacs-2016.config +++ b/patches/gromacs-2016.config @@ -11,6 +11,12 @@ cat << EOF PLUMED can be incorporated into gromacs using the standard patching procedure. Patching must be done in the gromacs root directory _before_ the cmake command is invoked. +On clusters you may want to patch gromacs using the static version of plumed, in this case +building gromacs can result in multiple errors. One possible solution is to configure gromacs +with these additional options: + +cmake -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON + To enable PLUMED in a gromacs simulation one should use mdrun with an extra -plumed flag. The flag can be used to specify the name of the PLUMED input file, e.g.: diff --git a/patches/gromacs-5.1.4.config b/patches/gromacs-5.1.4.config index 97adeda473c03a4d2d6305ec2532afda8bc5fa59..ae65d400e7de4984db03a0a74349b1a50704db20 100644 --- a/patches/gromacs-5.1.4.config +++ b/patches/gromacs-5.1.4.config @@ -10,6 +10,12 @@ cat << EOF PLUMED can be incorporated into gromacs using the standard patching procedure. Patching must be done in the gromacs root directory _before_ the cmake command is invoked. +On clusters you may want to patch gromacs using the static version of plumed, in this case +building gromacs can result in multiple errors. One possible solution is to configure gromacs +with these additional options: + +cmake -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON + To enable PLUMED in a gromacs simulation one should use mdrun with an extra -plumed flag. The flag can be used to specify the name of the PLUMED input file, e.g.: