[Pw_forum] how does the quantum espresso scale with increasing the number of nodes.

[vicky singh]

Hi
Can anybody let me know how does the quantum espresso scale with increasing
the number of nodes or number of processors. we have to establish a
computational facility. this information is required to know.

I ran QE simulation with 40 atoms with 8 nodes and 12 nodes. the system got
relaxed in 2 days 11 hrs with 8 nodes but it could nod relax even in 3 days
with 12 nodes. i could not understand why.

thanks in advance

vicky singh
research student
Bangalore
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