RE: [gmx-users] more than 100% CPU

2011-08-19 Thread Park, Jae Hyun nmn
Thank you so much, all. Jae H. Park -Original Message- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Szilárd Páll Sent: Thursday, August 18, 2011 9:19 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] more than 100% CPU It is

Re: [gmx-users] more than 100% CPU

2011-08-18 Thread Szilárd Páll
On Behalf Of Warren Gallin >> Sent: Thursday, August 18, 2011 7:26 PM >> To: Discussion list for GROMACS users >> Subject: Re: [gmx-users] more than 100% CPU >> >> I believe that the current version of GROMACS supports threading, which >> does not require mpi. >

Re: [gmx-users] more than 100% CPU

2011-08-18 Thread felmer...@uchile.cl
OMACS users" Asunto: Re: [gmx-users] more than 100% CPU I believe that the current version of GROMACS supports threading, which does not require mpi. So mdrun is running threads at 100% of the activity of each of your 16 nodes, hence 1600%. Warren Gallin On 2011-08-18, at 5:19 PM, Park, Ja

Re: [gmx-users] more than 100% CPU

2011-08-18 Thread Warren Gallin
Jae H. Park > > -Original Message- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On > Behalf Of Warren Gallin > Sent: Thursday, August 18, 2011 7:26 PM > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] more than 100% CPU > >

RE: [gmx-users] more than 100% CPU

2011-08-18 Thread Park, Jae Hyun nmn
] more than 100% CPU I believe that the current version of GROMACS supports threading, which does not require mpi. So mdrun is running threads at 100% of the activity of each of your 16 nodes, hence 1600%. Warren Gallin On 2011-08-18, at 5:19 PM, Park, Jae Hyun nmn wrote: > Hi GMX us

Re: [gmx-users] more than 100% CPU

2011-08-18 Thread Warren Gallin
I believe that the current version of GROMACS supports threading, which does not require mpi. So mdrun is running threads at 100% of the activity of each of your 16 nodes, hence 1600%. Warren Gallin On 2011-08-18, at 5:19 PM, Park, Jae Hyun nmn wrote: > Hi GMX users, > > I installed GMX 4.5