GROMACS development

02/19/2019

06:45 PM GROMACS Bug #2734 (Resolved): regressiontests/kernel core dumps on ppc64le

Applied in changeset commit:1ce795fe5693e9790eb7c33896f47d4953867127.

02:17 PM GROMACS Revision 1ce795fe: Disable instruction fusion on Power8

The -mpower8-fusion flag seems to be the source of incorrect code; not
confirmed, but likely a codegen issue that als...

02/17/2019

10:34 PM GROMACS Revision bce7c0ec: Improve GPU target compatibility error message

Change-Id: I53bff22da766c2e8bc083ca6c0e5a08d7ed3b408

02/15/2019

05:45 PM GROMACS Revision 20e3b2ab: Extend GpuEventSynchronizer to allow on-device sync

Added a method that allows inserting a dependency on the synchronizer's
even into a stream passed.
Change-Id: I982ad...

09:11 AM GROMACS Revision ed94ccdf: Extend performance considerations on bonded offload

Refs #2793
Change-Id: I4a8ae8554cf2aad540eb4eb485898f8cabeb3966

01:43 AM GROMACS Bug #2802 (Resolved): Force counter contains up to few % time unaccounted for

It turns out it's force buffer clearing that can take significant amount of time (additional to some dangling pbc set...

02/13/2019

08:08 PM GROMACS Bug #2734: regressiontests/kernel core dumps on ppc64le

Not really ready to close until we get feedback whether the issue is solved, but I guess leaving it on "Feedback want...

05:00 PM GROMACS Bug #2734 (Resolved): regressiontests/kernel core dumps on ppc64le

Applied in changeset commit:4a7281ef0020d0ff454608a3ee98b9984a6ac11e.

04:50 PM GROMACS Revision 4a7281ef: Disable instruction fusion on Power8

The -mpower8-fusion flag seems to be the source of incorrect code; not
confirmed, but likely a codegen issue that als...

03:44 PM GROMACS Revision 7ecbc483: Minor refactoring in mdrunnner

Simplified some runner.cpp code to reduce clutter and moved a few
variable declarations away from the beginning of th...