Re: [gmx-users] mdrun -rdd and -dds flag

2013-04-11 Thread Broadbent, Richard
On 11/04/2013 11:17, "manara r. (rm16g09)" wrote: >Dear gmx-users, > >I am having a problem with a periodic molecule and the domain >decomposition, I wish to use a high number of processors (circa 180, but >can obviously be reduced) and therefore need to use the -rdd or -dds >flags (I believe),

Re: [gmx-users] mdrun -rdd and -dds flag

2013-04-11 Thread Justin Lemkul
On Thu, Apr 11, 2013 at 6:17 AM, manara r. (rm16g09) wrote: > Dear gmx-users, > > I am having a problem with a periodic molecule and the domain > decomposition, I wish to use a high number of processors (circa 180, but > can obviously be reduced) and therefore need to use the -rdd or -dds flags >

[gmx-users] mdrun -rdd and -dds flag

2013-04-11 Thread manara r. (rm16g09)
Dear gmx-users, I am having a problem with a periodic molecule and the domain decomposition, I wish to use a high number of processors (circa 180, but can obviously be reduced) and therefore need to use the -rdd or -dds flags (I believe), how do these value effect the simulation? The box size