Error due to $ctd file not present in test IC-DFTB+-TDDFTB in newton-x v.2.6

[Nir Goldman]

Hello,

I'm trying to run IC-DFTB+-TDDFTB with DFTB+ v24.1 and v.2.6 of newton-x. The error message in DEBUG/runnx.error is the following:

run_dftb+_initcond.pl Cannot open !

The culprit appears to be line 28 in bin/run_dftb+_initcond.pl, since the filename $ctd is not defined in this script:

($nat,$istep,$nstat,$nstatdyn,$ndamp,$kt,$dt,$t,$tmax,$nintc,$mem,$nxrestart,$thres.$killstat,$timekill,$prog,$lvprt,$etot_jump,$etot_drift)=load_status($ctd,$mdle);

To be clear, I don't think this test generates a "control.d" or "control.dyn" file is created in some of the other tests.

Can you please advise? Thank you.

Best,

Nir Goldman