Can anyone please help me to understand that what dose it mean by Threads (openMp)?
Again I want to know dose calculation time reduce if I add 128 core instead of 56?
I am using windows operating system.
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Can anyone please help me to understand that what dose it mean by Threads (openMp)?
Again I want to know dose calculation time reduce if I add 128 core instead of 56?
I am using windows operating system.
For Threads, leave it to one; For the number of Processes (MPI) , the maxium number you can use is the number of maxium physical cores you have in your PC/Cluster. If you have 128 cpus, sure you can put 128 cores. Usually, the parallel efficiency of computational chemistry packages is quite low, so it doesn't mean using more cores can accelerate a lot the computation and it is also related which kind of task you are running. Check the QE benchmarks below to see if it can give you some ideas.
http://www.quantum-espresso.org/benchmarks/
http://www.hpc.cineca.it/content/quantumespresso-benchmark