Hi Chandan, I tried it once using -nt option but it failed . I kept it 8 although I dont know how to change the number of nodes for mdrun correctly. How do I know the value of x if I want to run say mdun -deffnm mdfinal -nt x. It is worth mentioning here that for my NPT and NVT mdrun proceeded smoothly and I am being troubled only in the production run stage. i would appreciate any sort of help. One more question - from the crashed mdfinal.log file is it possible to have some information about domain decomposition or the approximate value of -nt x?
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