Re: [Open Babel] Compile openbabel with OpenMP

2013-11-12 Thread Igor Filippov
Dear unnamed person, You mentioned OpenMPI but the compiler options is for OpenMP. Those are two very different parallel approaches, they have nothing to do with one another. Moreover, one cannot "install openmp" - either your compiler supports it, or it doesn't. One can install OpenMPI but then

Re: [Open Babel] Compile openbabel with OpenMP

2013-11-12 Thread Geoffrey Hutchison
I'll change the page. We now use cmake, so if you have already installed cmake, you want: CXXFLAGS='-g -O2 -msse3 -mfpmath=sse -fopenmp -lgomp' cmake [path to source] I'm really not sure how the conversion can be successfully parallel using OpenMP (i.e., the same computer). While there are some