Re: [gmx-users] Installing GROMACS4.6.1 on Intel MIC

2013-03-21 Thread Szilárd Páll
FYI: As much as Intel likes to say that you can "just run" MPI/MPI+OpenMP code on MIC, you will probably not be impressed with the performance (it will be *much* slower than a Xeon CPU). If you want to know why and what/when are we doing something about it, please read my earlier comments on MIC p

Re: [gmx-users] Installing GROMACS4.6.1 on Intel MIC

2013-03-21 Thread Mark Abraham
Yes, you can use any kind of FFTW installation for correct results. Hardware for which FFTW provides no SIMD acceleration will have to fall back on the generic FFTW routines. (Or you might consider using MKL (or MKL's FFTW-wrapper feature), which I'd guess Intel supports on MIC. We are making MKL e