[Pw_forum] simulations at 100 nodes

Dimpy Sharma dimpy.sharma at tyndall.ie
Mon Mar 8 13:13:22 CET 2010


Hi everyone,
I have to run my nscf calculation at 100 nodes for just 5 k points, I have tired running at 80 nodes.but in that case it crashes without any error message.I cannot increase my k points more than 5.And I want to plot the band structure so,I need atleast 25 kpoints. Can anyone give me some advice ?

Thanks a million !

Dimpy (PhD)

UCC,Ireland
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