Re: [gmx-users] a tip to run gromacs from Fink in mac duo core

2008-07-22 Thread David van der Spoel
Alan wrote: Hi list! I would like to know among mac intel users with Fink, which gromacs with mpi to use: gromacs-mpi-lammpi or gromacs-mpi-openmpi Or there's any easier way (multi-threads is still not working in GMX, right?)? Since LAM has been superseded by OpenMPI, the latter seems to be

[gmx-users] a tip to run gromacs from Fink in mac duo core

2008-07-22 Thread Alan
Hi list! I would like to know among mac intel users with Fink, which gromacs with mpi to use: gromacs-mpi-lammpi or gromacs-mpi-openmpi Or there's any easier way (multi-threads is still not working in GMX, right?)? Many thanks in advance. Alan -- Alan Wilter S. da Silva, D.Sc. - CCPN Resear