subject:"\[gmx\-users\] Too much PME mesh wall time."

Re: [gmx-users] Too much PME mesh wall time.

2014-08-25 Thread Mark Abraham

On Sun, Aug 24, 2014 at 2:19 AM, Yunlong Liu yliu...@jh.edu wrote: Hi gromacs users, I met a problem with too much PME Mesh time in my simulation. The following is my time accounting. I am running my simulation on 2 nodes. Each of them has 16 CPUs and 1 Tesla K20m Nvidia GPU. And my mdrun

[gmx-users] Too much PME mesh wall time.

2014-08-23 Thread Yunlong Liu

Hi gromacs users, I met a problem with too much PME Mesh time in my simulation. The following is my time accounting. I am running my simulation on 2 nodes. Each of them has 16 CPUs and 1 Tesla K20m Nvidia GPU. And my mdrun command is ibrun /work/03002/yliu120/gromacs-5/bin/mdrun_mpi -pin on