GROMACS modification: Yes/No
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I just compiled gromacs latest version on my cluster but some nodes executing gromacs without any issue some nodes getting Illegal instruction (core dumped).
Our nodes have different architecture.
if you have nodes with different architectures, you need to have node specific versions of GROMACS compiled. Are the nodes just different x86_64 types, or totally different (e.g. x86, arm, power, etc)?
Thanks, My cluster having 30 nodes. First 10 nodes have “Broadwell processor” then next 10 have “skylake processor” and last 10 have “cascade processor”. If I compile with gromacs on Broadwell it’s working only broadwell processor compute nodes.
Indeed, that is a good way to get a single build to run on compute nodes of different generation. However, depending on the type of Skylake / Cascade lake CPUs (Gold?), especially if those node are pure CPU (no GPUs), you are leaving a likely significant amount of performance on the table.