Re: [gmx-users] low cpu usage

Juni 2008 schrieb Yang Ye: > It could be system-specific. Could you try out dppc in tutor/gmxbench or > download gmxbench from gromacs' website (section Benchmark)? > > Regards, > Yang Ye > > Dr. Bernd Rupp wrote: > > same problem as mpich2. > > > >

Re: [gmx-users] low cpu usage

same problem as mpich2. regards, Bernd Am Mittwoch, 25. Juni 2008 schrieb Yang Ye: > I don't think Python is to be blamed. > How about lam-mpi? > > Regards, > Yang Ye > > Dr. Bernd Rupp wrote: > > Dear all, > > > > > > CPU: Intel(R) Core(TM)2

Re: [gmx-users] low cpu usage

Dear all, CPU: Intel(R) Core(TM)2 Extreme CPU Q6850 @ 3.00GHz System: fedora 8 Kernel: 2.6.25.6-27.fc8 #1 SMP gromacs 3.3.3 correct compiled MPI : mpich or mpich2 We had the same problem with mpich2. single processor run CPU load 100% double processor run CPU load around 70% quad processor run

Re: [gmx-users] MPICH2 and parallel Gromacs errors

Hello, here our scripts for running mdrun with mpich2: mpdboot.sh : #!/bin/sh NODES=7 HFILE=./mpd.hosts # -- MPI=/opt/MPICH2/bin $MPI/mpdboot -v -n `expr $NODES + 1` -f $HFILE -r /usr/bin/rsh -m $MPI/mpd eof mpd.hosts: node1 node2 node3 node4 node5 n