I was running columbus interface MRCIS run involving 7-state. I am getting the following error:
"""error occurred in cigrd.x errno=256
The COLUMBUS version (/home/satyam/COLUMBUS-BIN/Columbus)
might not be compatible with the current version of Newton-X
for this specific kind of job (ciudg in control.run and
NSTAT > NSTATDYN in control.dyn).
If in the first step of this job COLUMBUS ends with error message:
"error in cigrd: eci and eci(eff) do not match"
You should contact the Columbus distributors (www.univie.ac.at/columbus)
and require an updated version of the runc file."""
I checked it in cigrdls file
the lmicro iteration is not converging, though the mcscf is converging,
the CI is also converging. I am using
Columbus 7.2.2 binary with a parallel version.
I have used a tighter convergence threshold of MCSCF and increased the cigrdin iteration, but still, the error is not solved.