Re: [gmx-users] Parallelization scheme and terminology help

2013-01-23 Thread Szilárd Páll
Hi, Here's a bit more explanation, hopefully a bit more practical and give for you and others a better view of what's going on under mdrun's hood. thread-MPI, or in other contexts referred to as "thread_mpi" or abbreviated as "tMPI", is functionally equivalent with the standard MPI you'd use on

Re: [gmx-users] Parallelization scheme and terminology help

2013-01-21 Thread Mark Abraham
On Mon, Jan 21, 2013 at 11:50 PM, Brad Van Oosten wrote: > I have been lost in the sea of terminology for installing gromacs with > multi-processors. The plan is to upgrade from 4.5.5 to the 4.6 and i want > the optimal install for my system. There is a a nice explanaion at > http://www.gromac

[gmx-users] Parallelization scheme and terminology help

2013-01-21 Thread Brad Van Oosten
I have been lost in the sea of terminology for installing gromacs with multi-processors. The plan is to upgrade from 4.5.5 to the 4.6 and i want the optimal install for my system. There is a a nice explanaion at http://www.gromacs.org/Documentation/Acceleration_and_parallelization but the nu