error when running cRPA calculation

pipidog · Post by **pipidog** » Sun Apr 02, 2017 8:16 am

Hello all,

I'm running cRPA calculation. If the SCF ground state is non-magnetic (nspinor=1, nspden=1, nsppol=1), everything is fine.
However, when I use spin-polarized (nspinor=1, nspden=2, nsppol=2) calculation, I always got error message:

ug for (band, ik_ibz, spin): 11 1 2 is not stored in memory!

looks like a MPI problem. If I use a serial run, the problem is gone.

Any suggestion about how to solve the problem?

Thanks!