<div dir="ltr">Just out of curiosity, does it work on 8? Could there be a memory overrun that is alleviated by making a distributed array smaller? <div class="gmail_quote">On Fri, Aug 1, 2008 at 10:19 AM, Jun <<a href="mailto:chen...@googlemail.com">chen...@googlemail.com</a>> wrote: <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> Hi Matt, You are right. It works when using 32 processors. Jun <div><div></div><div class="Wj3C7c"> On Aug 1, 3:08 pm, Matt W <<a href="mailto:MattWa...@gmail.com">MattWa...@gmail.com</a>> wrote: > It does work for me if you run on 32 rather than 16 processors! I'll > keep looking, but I'm afraid no definite answer yet. > > Matt > > On Aug 1, 2:54 pm, Jun <<a href="mailto:chen...@googlemail.com">chen...@googlemail.com</a>> wrote: > > > Hi Matt, > > > Thank you for the help. > > I tried your suggestion. Unfortunately, it doesn't work. The output > > files are > > almost the same before and after adding the section. > > Any other suggestions? Thanks. > > > Jun > > > On Aug 1, 2:28 pm, Matt W <<a href="mailto:MattWa...@gmail.com">MattWa...@gmail.com</a>> wrote: > > > > Hi Jun, > > > > there's definitely something wrong here - I can reproduce your problem > > > with my executable. > > > > For the time being try adding > > > > &RS_GRID > > > DISTRIBUTION_TYPE REPLICATED > > > &END RS_GRID > > > > into the &MGRID section and see if you get stable MD. > > > > Matt > > > > On Aug 1, 12:25 pm, Jun <<a href="mailto:chen...@googlemail.com">chen...@googlemail.com</a>> wrote: > > > > > Hi Matt, > > > > > I just tried to run your executable, but I cannot access it. > > > > I will send you my input file to your email. Could you run it please. > > > > Thanks a lot. > > > > > Jun > > > > > On Aug 1, 11:24 am, Matt W <<a href="mailto:MattWa...@gmail.com">MattWa...@gmail.com</a>> wrote: > > > > > > There are four people I can see currently running cp2k on Hector ... > > > > > so hopefully we're not all wrong. > > > > > > You can try my executable /home/e05/e05/uclmbw/temp/cp2k.popt > > > > > > and see if that also does the same (or put files for me to try your > > > > > run in that directory). > > > > > > Matt </div></div></blockquote></div> </div>