Hi,
Is it not possible to restart a COSMO calculation in NWChem? When I tried to so (as the SCF on a cation takes forever to converge) with NWChem 6.0 I get the following error message at the end of my output:
...... end of -cosmo- initialization ......
188
>End of File
gridfileopen: eaf_read failed -1977
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
An error occured while trying to read or write to disk space
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
188:188:gridfileopen: eaf_read failed:: -1977
308
>End of File
gridfileopen: eaf_read failed -1977
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
An error occured while trying to read or write to disk space
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section
etc. etc. etc.
Thanks in advance,
Martijn
|