Features/gromacs - #835

Merged

pearce8 merged 20 commits into

features/gromacs

Jul 28, 2026

Commits on Jun 11, 2025

gromacs changes
Riyaz Haque
committed
gromacs rocm hipsycl config
Riyaz Haque
committed
gromacs package.py
Riyaz Haque
committed
hip build changes
Riyaz Haque
committed
Set GPU-aware MPI environment variables
Riyaz Haque
committed

Commits on Jun 12, 2025

lassen cuda build
Riyaz Haque
committed
Matrix build
Riyaz Haque
committed

Commits on Jun 13, 2025

Merge remote-tracking branch 'origin/develop' into features/gromacs
Riyaz Haque
committed

Commits on Jun 16, 2025

lint
Riyaz Haque
committed
Update hipsycl package.py and gromacs gpu aware mpi logic
Riyaz Haque
committed

Commits on Jun 17, 2025

Add single node mpi command variable to run grompp
Riyaz Haque
committed
Fix job scheduler invocation for single rank runs
Riyaz Haque
committed
Add cmake v3.31 as an external package on dane and matrix
Riyaz Haque
committed
Merge remote-tracking branch 'origin/develop' into features/gromacs
Riyaz Haque
committed

Commits on Jun 18, 2025

Change variant name to direct-gpu-comm
Riyaz Haque
committed

Commits on May 9, 2026

Merge with develop
Riyaz Haque
committed

Commits on May 11, 2026

lint
pearce8
authored

Commits on Jul 27, 2026

Commits on Jul 28, 2026

lint
pearce8
authored