ROCm support

User discussions
1

GROMACS version: 2025.0
GROMACS modification: No

Hi,

I am a developer at AMD where I work on the HIP compiler backend. I am working with a gromacs user on a simulation project. I observed that gromacs is incompatible with gfx1031 (Radeon 6700XT). Is it not supported?

Thanks,
Anshil Gandhi

2

Hello,

Iā€™m the person at AMD responsible for GROMACS support (paubauer), please contact me through internal channels.

/Paul

3

For the record, the issue was due to not including the target architecture at configuration time.
Adding -DGMX_HIP_TARGET_ARCH=gfx1031 to the cmake line is the fix for this.

/Paul

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