Dear charles and any others
I had a couple of questions to ask while finishing up my ensemble code 1. In an ensemble calculation how do i treat data that doesn't need to be shared but is ensemble member specific. I am especially thinking about the difference between a threaded simulation and a multi node simuation that communicates across a socket. So if i take a non bonded list as an example: in this case each ensemble member simulation will have to have a non bonded list. However for the threaded model i will need all three present in the same address space whereas for the muti processor version each address space will need to have only one (the one for its own member simulation). What s he best way to set up the non bonded list have an arrayof non bonded lists one for each ensemble member and then allocate them as data for ensemble members is requested? 2. When do shared cds vectors get syncronised is it at each syncronisation barrier? Regards gary Nb i have seem to ahve ironed out all the installation problems for the single threaded version with the help of alvin, would you like me to send the latest instructions on to you? -- ------------------------------------------------------------------- Dr Gary Thompson [Leeds Biological NMR Facility] Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024 email: ga...@bmb.leeds.ac.uk Fax +44-113-3431935 ------------------------------------------------------------------- _______________________________________________ Xplor-nih mailing list Xplor-nih@cake.cit.nih.gov http://cake.cit.nih.gov/mailman/listinfo/xplor-nih
