Hi everybody,
has anyone seen this error before ? It is totally new to me.
When trying an aoforce-run, I get this error returned to the STDOUT:
PGFIO/stdio: Invalid argument
PGFIO-F-/unformatted write/unit=21/error code returned by host stdio - 22.
File name = dh unformatted, direct access record = 137
In source file dstvf.f, at line number 699
These are the last lines of aoforce.out:
CONSTRUCTING first deriv. of <mu|x,y,z|nu> -> Dip. deriv.
dipole integral derivatives will be neglected if
expon. factor <0.294291E-11
...terminated. cpu: 0.66 wall: 0.66
CONSTRUCTING first deriv. of <mu|nu>
<mu|h|nu> -> RHS
second deriv. of <mu|nu> -> Hessian
<mu|h|nu> -> Hessian
nucl. rep. -> Hessian
integrals are neglected if expon. factor < 2.9429075927015891E-013
The same happens when I restart the job from scratch (e.g. run another clean ridft optimization, after finishing run aoforce).
The molecule has c1 symmetry (and about 1600 scf basis functions), I set maxcor to 600 MB. Scfconv was set to 8, ridft was run with BP86/def-svp
Any ideas ?
Thanks,
Nils
