Re: [gmx-users] Is the PME domain decomposition flexible in some hidden way?

2012-04-07 Thread Paolo Franz
Thank you very much for the help. I read the part of the manual you referred to, it is now clear how to choose the decomposition. Cheers Paolo On 3 April 2012 17:16, Mark Abraham wrote: > On 3/04/2012 11:58 PM, Paolo Franz wrote: > >> Hello! >> I am wondering if the domain de

[gmx-users] Is the PME domain decomposition flexible in some hidden way?

2012-04-03 Thread Paolo Franz
Hello! I am wondering if the domain decomposition chosen by the code, once the number of cpus dedicated to PME is chosen,can be overridden somehow. That is, if in some sort there exist a reciprocal space equivalent of "-dd" for the domain decomposition of the direct space. The problem I have is tha