[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

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) rm16...@soton.ac.ukwrote: 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

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

2013-04-11 Thread Broadbent, Richard
On 11/04/2013 11:17, manara r. (rm16g09) rm16...@soton.ac.uk 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