[gmx-users] Changing number of processors after a job restart

Nash, Anthony a.nash at ucl.ac.uk
Fri Jan 9 08:00:37 CET 2015

Hi all,

This is probably quite a fundamental bit of knowledge I am missing (and struggling to find). In an effort to just get a system running rather than waiting on a queue I am considering taking my job which has already ran for 48 hours and reducing the requested number of nodes. I would use the usual -cpi ----.cpt -noappend notation in the job script to resubmit.

I have a feeling though, that all manor of parallel calculations were preserved in the check point file and are loaded upon restart. Would my job reload and recalculate all the relevant cell decomposition, etc., without throwing up an error.

Many thanks

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