TURBOMOLE Users Forum

General FAQ => General FAQ => Topic started by: turbomaster on December 17, 2006, 12:20:05 PM

Title: The test suite script TTEST does not work.
Post by: turbomaster on December 17, 2006, 12:20:05 PM

Q: The test suite script TTEST does not work.

A:
Check the following points:

• $TURBODIR is set correctly? 
• $PATH includes $TURBODIR/scripts? 
• Is perl installed on your system? 
• Is /bin/ksh installed on your system, and not just a link or a copy of /bin/bash? 
• $PATH includes the current working directory (.)? 
• Does the $TURBODIR/scripts/sysname script work ? 
• Do you have write permissions in $TURBODIR/TURBOTEST and all subdirectories ?

In Version 5.8 the example tmole/short/H2.MP2 might not work, because tmole tries to write in /work/$user which does not exist on your system. This affects just tmole and only conventional (i.e. non-RI) MP2 calculations with tmole. Please do such calculations without the tmole script as described in the manual.