GROMACS development

08/05/2017

01:29 AM GROMACS Bug #2227 (Resolved): CUDA + gcc 6 does not work

CUDA 9.0 supports gcc 6, but compilation fails with the following static assertion error:...

07/27/2017

09:50 AM GROMACS Revision 75e7a98b: Inform users about the end of run DLB state

The user will not know whether the run did DLB or not without looking
through the entire log or standard error. Hence...

07/21/2017

04:42 PM GROMACS Bug #2209 (Closed): SIMD module does not compile on ARM in debug mode

07/05/2017

04:20 PM GROMACS Bug #2211: gmx writes normal output to stderr

Side-note: some (most?) of the use of messages to stderr in mdrun was motivated by console message aggregation with M...

06/26/2017

04:12 PM GROMACS Revision fb4e3f33: Add ARM_NEON_ASIMD post-submit test

Will run on the Jetson TX1 dev board.
Change-Id: Ia7907d2c11cdd46dd6680f984a6d52e1913c0453

06/22/2017

10:20 PM GROMACS Bug #2209 (Closed): SIMD module does not compile on ARM in debug mode

Both ARM_NEON and ARM_NEON_ASIMD flavors of the SIMD module faile to compile in Debug mode. Most recent errors are he...

06/21/2017

07:01 PM GROMACS Revision 86729b89: Re-enable lost DD warning + minor code modernization

After the message got refactored in 147de64 the dd_warn() call was left
out and therefore a DD warning message would ...

06/20/2017

09:49 PM GROMACS Revision 8d2584c3: Re-enable accidentally lost DD warning

After the message got refactored in 147de64 the dd_warn() call was left
out and therefore a DD warning message would ...

09:48 PM GROMACS Revision 412855d4: Refactoring + clarification of DLB state handling

The change does a few refactoring and renaming steps in order to clarify
DLB internal state handling code:
- separate...

06:53 PM GROMACS Bug #2208: cuFFT linking

Aleksei Iupinov wrote:
> This isn't really about master, but PME GPU changes, starting from https://gerrit.gromacs.o...