[gmx-users] Re: GROMACS and GPGPU

I see. I was looking to do my dissertation for my Masters course in GPGPU on cientific calculation programs and GROMACS seemed appropriate. Would any of the developers be interested in collaborating with me to make this happen, or should I look elsewhere, to OpenMM, like Jose Duarte said? Best r

[gmx-users] Re: GROMACS and GPGPU

Ok, tks Jose! I will be looking into this project then, maybe it's what I'm looking for. Best regards, Tiago Marques On Tue, Sep 30, 2008 at 9:17 AM, Jose Duarte <[EMAIL PROTECTED]> wrote: > Hi Tiago > > I think this is precisely what the [EMAIL PROTECTED] people are

Re: [gmx-users] Re: GROMACS and GPGPU

Hi, Please search the list - all this stuff will be available in Gromacs once we have neighborlists and PME working, but that's non-trivial work ;-) Cheers, Erik On Sep 30, 2008, at 10:17 AM, Jose Duarte wrote: Hi Tiago I think this is precisely what the [EMAIL PROTECTED] people are do

Re: [gmx-users] Re: GROMACS and GPGPU

Hi Tiago I think this is precisely what the [EMAIL PROTECTED] people are doing. Apparently the just released a preview of the OpenMM API and they intend to release gromacs code using the API in December: https://simtk.org/project/xml/news.xml?group_id=161 Maybe somebody on the list more fami

[gmx-users] Re: GROMACS and GPGPU

Anyone? On Sat, Sep 27, 2008 at 1:50 AM, Tiago Marques <[EMAIL PROTECTED]> wrote: > Hello. > > Is any work being done to have GROMACS compute on GPUs? > > I'm interested in performing research in this area. > > Best regards, > > Tiago Marques > ___