GROMACS development

03/12/2020

02:31 PM GROMACS Bug #3413: COMM Removal Failure in GROMACS 2020.1

> The seg fault might be a separate issue - I'll look into that.
This also seems to be a problem with the GPU upda...

03/11/2020

12:02 PM GROMACS Bug #3413: COMM Removal Failure in GROMACS 2020.1

OK, thanks. So it looks like the (originally reported) issue is a bug in the GPU update code (adding Artem). The seg ...

03/10/2020

06:35 PM GROMACS Bug #3413: COMM Removal Failure in GROMACS 2020.1

Thanks Daniel - just to be sure, do I understand correctly that:
the code works as expected with
* no experimen...

11:11 AM GROMACS Bug #3413: COMM Removal Failure in GROMACS 2020.1

Daniel, thanks very much for reporting this. To help us isolate the issue, could you also please try with exactly the...

03/04/2020

04:27 PM GROMACS Bug #3409 (Fix uploaded): Orientation restraints segfault with gpucomm path

Fixed in https://gerrit.gromacs.org/c/gromacs/+/16183

02/27/2020

12:08 PM GROMACS Bug #3159: eliminate regression due to moving gmx_pme_send_coordinates()

>is still an issue or can we close the bug?
Requires https://gerrit.gromacs.org/c/gromacs/+/15200 to be merged.

02/21/2020

02:02 PM GROMACS Task #3370: Further improvements to GPU Buffer Ops and Comms

OK, noted. I will update the existing patches in gerrit accordingly.

10:04 AM GROMACS Task #3370: Further improvements to GPU Buffer Ops and Comms

The idea is to try and simplify the logic in do_force (and do_md) by unifying flags and ultimately code-paths, to imp...

09:34 AM GROMACS Feature #2817: GPU X/F buffer ops

I had already moved the TODO into https://redmine.gromacs.org/issues/3370 ("Force buffer op and reduction cleanup/imp...

02/16/2020

09:15 PM GROMACS Task #3106 (Closed): Implement multiple pulses with GPU communication

Merged in https://gerrit.gromacs.org/c/gromacs/+/14723