TURBOMOLE Users Forum
TURBOMOLE Modules => Define => Topic started by: FKoehler on April 11, 2008, 06:16:18 PM
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Hello,
whenever I run define on our Rechenzentrum Turbomole 5.10 installation, I get the following response in the define dialog:
define(rzcluster) : TURBOMOLE V5-10 15 Jan 2008 at 09:41:54
Copyright (C) 2008 University of Karlsruhe
2008-04-11 18:13:52.883
library /data1/turbomole/5.10/TURBOMOLE/cabasen/ does not exist
OPERATING SYSTEM = unix
HOST NAME = rzcluster
STANDARD BASIS SET LIBRARY = /data1/turbomole/5.10/TURBOMOLE/basen/
ALTERNATE BASIS SET LIBRARY = /data1/turbomole/5.10/TURBOMOLE/basold/
LIBRARY FOR RI-J BASIS SETS = /data1/turbomole/5.10/TURBOMOLE/jbasen/
LIBRARY FOR RI-JK BASIS SETS = /data1/turbomole/5.10/TURBOMOLE/jkbasen/
LIBRARY FOR RIMP2/RICC2 SETS = /data1/turbomole/5.10/TURBOMOLE/cbasen/
LIBRARY FOR RIR12 BASIS SETS = /data1/turbomole/5.10/TURBOMOLE/cabasen/
STRUCTURE LIBRARY = /data1/turbomole/5.10/TURBOMOLE/structures/
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* *
* D E F I N E *
* *
* TURBOMOLE'S INTERACTIVE INPUT PROGRAM *
* *
* Quantum Chemistry Group University of Karlsruhe *
* *
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DATA WILL BE WRITTEN TO THE NEW FILE control
IF YOU WANT TO READ DEFAULT-DATA FROM ANOTHER control-TYPE FILE,
THEN ENTER ITS LOCATION/NAME OR OTHERWISE HIT >return<.
I'm abit worried about the line: library /data1/turbomole/5.10/TURBOMOLE/cabasen/ does not exist
Is this to be expected, or a problem with the installation?
Best regards,
Felix Koehler
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Hi,
this is just a warning and can be ignored. The cabasen are not part of the official Turbomole release and there is not feature in Turbomole 5.10 that needs them. If you think this message is annoying, just create an empty directory called cabasen in $TURBODIR.
Best,
Uwe
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Thanks alot for the clarification,
Viele Grüße, Felix