GROMACS development

08/17/2017

12:23 PM GROMACS Revision 2e590059: Merge "Merge branch release-5-1 into release-2016" into release-2016

06/30/2017

07:03 PM GROMACS Revision d093bc82: Remove outdated cmake nvcc logic

Change-Id: Id51f680a9237bc6fcbb7a9b7441a5fc158be1d47

01:58 PM GROMACS Bug #2208: cuFFT linking

So I've just built both the master and the first PME patch that requires cufft (gerrit 6212), only with cuda/8.0 modu...

06/20/2017

06:15 PM GROMACS Bug #2208: cuFFT linking

This isn't really about master, but PME GPU changes, starting from https://gerrit.gromacs.org/#/c/6212.
All the effo...

06/12/2017

02:19 PM GROMACS Revision 6f880111: Store a physical node communicator in t_commrec

Introduced a physical node communicator and a corresponding barrier
function, which is called within thread-MPI build...

05/26/2017

07:32 PM GROMACS Feature #2054: PME on GPU

I would like to urge everyone to review the low-level PME GPU building blocks:
https://gerrit.gromacs.org/#/c/6357...

05/19/2017

01:23 PM GROMACS Task #2183 (New): GPU-accessed memory page-locking and page sizes

In order to have fast asynchronous transfers between host and CUDA GPUs, host memory buffers need to be page-locked (...

05/09/2017

09:48 PM GROMACS Bug #2156 (Resolved): EwaldUnitTests fail on current master using -DGMX_DOUBLE=ON

09:47 PM GROMACS Bug #2156 (Closed): EwaldUnitTests fail on current master using -DGMX_DOUBLE=ON

05/08/2017

02:45 PM GROMACS Task #2168: Design for multiple comparisons against same test reference data

The second option is what I had in mind in the very beginning (mode was one of the input parameters for the test inst...