Gromacs-2020.x not able to detect AMD "Milan" proc

User discussions
1

GROMACS version: 2020.3 or 2020.4
GROMACS modification: No
Compiler: gcc-9.3.0

I tried compiling gromacs-2020.3 or 2020.4 on a latest processor AMD EPYC 7763 (Milan). The cmake command gets hanged during CPU detection test i.e. gmxDetectCpu. May be it is not able to recognize AMD 7763. But the same works on a AMD 7742 processor.

I’ve to compile the code on AMD-7763 processor based node only because it only has nvidia A100 gpus.

…
– Check for working NVCC/C++ compiler combination with nvcc ‘/opt/nvidia/hpc_sdk/Linux_x86_64/20.9/cuda/11.0/bin/nvcc’
– Check for working NVCC/C++ compiler combination - works
– Checking for GCC x86 inline asm
– Checking for GCC x86 inline asm - supported
^C
…

Can anybody pls let me know any work around here? or is to possible to disable the cpu detection test?

2

The GROMACS build system does not have an option to disable CPU detection; some hacking might allow short-circuiting it, but it would be more useful if we tried to diagnose the issue and fix it.
Can you please file an report on https://gitlab.com/gromacs/gromacs/-/issues and provide the following files:
CMakeCache.txt
cmake/CMakeError.log
cmake/CMakeOutput.log

Thanks,
Szilárd

3

I’ve reported this on gromacs gitlab