Error while running QM optimization on bonded parameter PSIO_ERROR: unit = 1, errval = 6

Geometry Optimization
1

Hello,

I am currently running the QM for the bonded parameters. While running the QM calculation on bond PES file I recived this error “PSIO_ERROR: unit = 1, errval = 6”.

What does this error suggest?

Any leads will be appreciated.

Many thanks,

Shubhangi

2

This error refers to an attempt to open a file that is already open, but it should’ve been accompanied by other error messages. Can you provide the full context of the calculation that produced this message?

3

Hi,
Here is the complete error message that appeared while running QM optimization on one of the bond parameter.

I also enclosed the link to access the QM output file that was generted after the error appeared.

Error
New linear angles
PSIO_ERROR: Attempt to write into next entry: 1, H
PSIO_ERROR: unit = 1, errval = 18
PSIO_ERROR: unit = 1, errval = 6
PSIO_ERROR: unit = 1, errval = 6

Many thanks,
Shubhangi

4

Hello everyone,

Just an add on to my previous query. I am running the calculations on WSL2.

I am still stuck with the same error while running QM optimization aclculation on the bonded parameter (angle).

Any insight on this will be very helpful.

image

Many thanks,

Shubhangi