>Hi
>
>I am trying to do some ZORA NMR calculations. These work fine on some
>molecules, but I have encountered the following error on a larger molecule
>BEFORE the NMR part of the calculation starts. So, it seems that the error is
>not associated with calculation NMR shieldings. Any ideas on what is causing
>this? Is it a memory issue?

   CIO_ERROR cio_llwrite: lseek failed (TAPE11,fd=12,rec=1)

As you already state, this message is typical for larger molecules,
and results from a "Out Of Disk Space" error.
So, not a memory but a disk issue.

Note, that the way to solve this, is to use the parallel version
(with more nodes).

Marcel.
Received on 2001-12-08 10:17:17