[QE-users] difference between parallel system and single laptop

Seyed Hamid Reza Shojaei shojaei81 at gmail.com
Fri Sep 28 20:33:40 CEST 2018


Dear All,

We did band structure calculation for Barium Titanate under strain.,
eventually we run the same input on different platforms, supercomputer and
laptop, the strange thing is that we found different results ( one order
magnitude) I was wondering if some one else has such experience and what
can cause such a problem. the different bands are also herewith.

Regards,
   Reza
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