Molcas Forum

Hanros

Member

Registered: 2017-12-26

Posts: 17

RASSCF convergence issue

Hi

I'm trying to do a RASSCF calculation with a large active space and experiencing convergence problems. I have included Levshift 1.0, however this doesn't seem to make much difference. During the RASSCF convergence, the running process goes into a sleeping state and the call being made by the process is futex(0x2b6195e8f784, FUTEX_WAIT_PRIVATE, 1, NULL).

Could someone please advise me.