GROMACS development

Today

12:36 PM GROMACS Bug #2989: (thread-) MPI setup hanging on bs_jetson_tk1

Mark Abraham wrote:
> I didn't spot anything that suggested the code is a problem :-( I suggest we revert my change ...

10:34 AM GROMACS Revision 660c00f5: Only use AVX512 in own-FFTW if GROMACS also uses it

Building the own FFTW with AVX512 enabled for all AVX-flavors means that
an AVX2 build can end up loosing a significa...

06/20/2019

07:20 PM GROMACS Feature #2615: Switch to Python3

This has been showing up in my cmake configure runs recently:...

04:09 PM GROMACS Bug #2989: (thread-) MPI setup hanging on bs_jetson_tk1

A few more tests:...

04:08 PM GROMACS Bug #2990 (New): ARM neon SIMD4 error

On a NEON build with gcc 8 (on jetson tk1) I get:...

03:44 PM GROMACS Bug #2989: (thread-) MPI setup hanging on bs_jetson_tk1

Reproduced, the issue seems to be that some tMPI ranks are stuck in analyzeThreadsOnThisNode() MPI_Scan(), while the ...

02:14 PM GROMACS Task #2988 (In Progress): clean up and refactor code to modern standards

02:13 PM GROMACS Task #2988 (In Progress): clean up and refactor code to modern standards

Although the module is new, it landed with some aspects that don't meet the coding standards of the project.
This ha...

01:03 PM GROMACS Bug #2986: Post submit failing in two configurations

PS: Looking at the post-submit history, I see no indication of timeouts. Have these resolved themselves?

01:01 PM GROMACS Bug #2986: Post submit failing in two configurations

Paul Bauer wrote:
> Also, since https://gerrit.gromacs.org/c/gromacs/+/11197 the
> [...]
> configuration has been ...