diff --git a/user-doc/Installation.md b/user-doc/Installation.md index b296e09eaa7ac1816a1423ff9f714765fc6290f1..e9fcfbe4620049851af5d1107cddd596410d2fbe 100644 --- a/user-doc/Installation.md +++ b/user-doc/Installation.md @@ -552,14 +552,18 @@ Notice that plumed comes with many variants that can be inspected with the comma > sudo port info plumed Plumed uses variants to support different compilers. -For instance, you can install plumed with openmpi using +For instance, you can install plumed with mpich using - > sudo port install plumed +openmpi + > sudo port install plumed +mpich -Using gcc instead of native compilers is recommended so as to +Using more recent clang instead of native compilers is recommended so as to take advantage of openMP - > sudo port install plumed +openmpi +gcc7 + > sudo port install plumed +mpich +clang50 + +Notice that support for c++11 with gcc compilers is someway problematic within MacPorts +due to impossibility to use the system c++ library. For this reason, only clang compilers are supported +(see also [this discussion](https://github.com/macports/macports-ports/pull/1252)). Variants can be also used to compile with debug flags (`+debug`), to pick a linear algebra library (e.g. `+openblas`) and to enable all optional modules (`+allmodules`). @@ -576,18 +580,18 @@ under the subport `plumed-devel` that can be installed with It is also possible to install a plumed-patched version of gromacs. For instance, you can use the following command to install -gromacs patched with plumed with gcc compiler and openmpi: +gromacs patched with plumed with clang-5.0 compiler and mpich: - > sudo port install plumed +openmpi +gcc7 - > sudo port install gromacs-plumed +openmpi +gcc7 + > sudo port install plumed +mpich +clang50 + > sudo port install gromacs-plumed +mpich +clang50 In case you want to combine gromacs with the unstable version of plumed, use this instead: - > sudo port install plumed-devel +openmpi +gcc7 - > sudo port install gromacs-plumed +openmpi +gcc7 + > sudo port install plumed-devel +mpich +clang50 + > sudo port install gromacs-plumed +mpich +clang50 Notice that gromacs should be compiled using the same compiler -variant as plumed (in this example `+openmpi +gcc7`). In case this is not +variant as plumed (in this example `+mpich +clang50`). In case this is not true, compilation will fail. Also notice that gromacs is patched with plumed in runtime mode