Re: [gmx-users] Prospective research areas of GROMACS

2015-09-25 Thread Sabyasachi Sahoo
Thanks a lot for such in-depth insight! Will look into all of this and get started asap! On Wed, Sep 23, 2015 at 1:29 AM, Mark Abraham wrote: > Hi, > > On Mon, Sep 21, 2015 at 7:10 PM Sabyasachi Sahoo > wrote: > > > Dear Gromacs users and developers, > > > > I am a parallel programming research

Re: [gmx-users] Prospective research areas of GROMACS

2015-09-22 Thread Mark Abraham
Hi, On Mon, Sep 21, 2015 at 7:10 PM Sabyasachi Sahoo wrote: > Dear Gromacs users and developers, > > I am a parallel programming researcher and would like to contribute to > Gromacs molecular dynamics software by helping to nail down any bottlenecks > that occur in scaling of the software on mul

Re: [gmx-users] Prospective research areas of GROMACS

2015-09-21 Thread Sabyasachi Sahoo
Thanks for the suggestion! On Mon, Sep 21, 2015 at 10:58 PM, David van der Spoel wrote: > On 21/09/15 19:09, Sabyasachi Sahoo wrote: > >> Dear Gromacs users and developers, >> >> I am a parallel programming researcher and would like to contribute to >> Gromacs molecular dynamics software by help

Re: [gmx-users] Prospective research areas of GROMACS

2015-09-21 Thread David van der Spoel
On 21/09/15 19:09, Sabyasachi Sahoo wrote: Dear Gromacs users and developers, I am a parallel programming researcher and would like to contribute to Gromacs molecular dynamics software by helping to nail down any bottlenecks that occur in scaling of the software on multiple CPUs (and probably im

[gmx-users] Prospective research areas of GROMACS

2015-09-21 Thread Sabyasachi Sahoo
Dear Gromacs users and developers, I am a parallel programming researcher and would like to contribute to Gromacs molecular dynamics software by helping to nail down any bottlenecks that occur in scaling of the software on multiple CPUs (and probably improved performance in exa-scale era.) I am al