subject:"\[gmx\-users\] mpi installation problems"

Re: [gmx-users] mpi installation problems

2010-07-29 Thread Carsten Kutzner

Hi Ryan, you need to use mpiicc instead of mpicc (should be present also in /opt/intel/mpi/3.1/bin64/). Carsten On Jul 28, 2010, at 11:32 PM, Ryan S Davis (rsdavis1) wrote: > I am trying to install gromacs with MPI enabled on a cluster but it seems > like fftw is giving me trouble. > > Fir

[gmx-users] mpi installation problems

2010-07-28 Thread Ryan S Davis (rsdavis1)

I am trying to install gromacs with MPI enabled on a cluster but it seems like fftw is giving me trouble. First, I compile everything without MPI just fine. FFTW is already on the cluster. I export pertinent variables... export CPPFLAGS=-I/opt/fftw/3.2.1/include export LDFLAGS=-L/opt/fftw/3.2.