Re: [gmx-users] MPI runs on a local computer

2013-09-20 Thread Mark Abraham
On Thu, Sep 19, 2013 at 2:48 PM, Xu, Jianqing wrote: > > Dear all, > > I am learning the parallelization issues from the instructions on Gromacs > website. I guess I got a rough understanding of MPI, thread-MPI, OpenMP. But > I hope to get some advice about a correct way to run jobs. > > Say I h

Re: [gmx-users] MPI runs on a local computer

2013-09-20 Thread Carsten Kutzner
Hi Jianqing, On Sep 19, 2013, at 2:48 PM, "Xu, Jianqing" wrote: > Say I have a local desktop having 16 cores. If I just want to run jobs on one > computer or a single node (but multiple cores), I understand that I don't > have to install and use OpenMPI, as Gromacs has its own thread-MPI includ

[gmx-users] MPI runs on a local computer

2013-09-19 Thread Xu, Jianqing
Dear all, I am learning the parallelization issues from the instructions on Gromacs website. I guess I got a rough understanding of MPI, thread-MPI, OpenMP. But I hope to get some advice about a correct way to run jobs. Say I have a local desktop having 16 cores. If I just want to run jobs on