[gmx-users] How to install gromacs on cpu cluster

[sunyeping]

Dear everyone,

I would like to install gromacs on a cpu cluster of 12 nodes, with each node containing 32 cores. The gcc version on the cluster is 4.4.7. Which version of gromacs can be properly compiled with this gcc version?

The cluster support PBS job submission system, then what is the correct options for cmake (or maybe configure) when compiling gromacs?

Thank you in advance.

Best regards.
Yeping