Gromacs 2021-beta3 installation error

Hi all,

I am trying to Linux install the 2021-beta3 version of Gromacs and I am running into an error in the make step where the modularsimulator file can’t be found.
The version of cmake I am using is 3.19.2 and of gcc is 5.5.0.

I have performed the following commands:

  1. wget
  2. tar xvzf regressiontests-2021-beta3.tar.gz
  4. make

This is my error message for the make step:

Thank you to anyone who has any advice on this issue or knows how to resolve it.

Hi Kyrstyno,

Thanks for reporting the issue and sorry for the delay in answering!

Can you try building the release candidate and see if the error is still there?


Hi Kyrstyno,

Please try to use a more recent compiler. GROMACS 2021 requires a compiler with full C++17 support. For gcc, this requires gcc 7 or higher. See Installation guide — GROMACS 2021-rc1-UNCHECKED documentation for more details.


Thank you Christian! I will try 2020.5.

Thank you Pascal for highlighting this issue. I will see if that fixes my problem.