Author Topic: TmoleX on windows looking for remote temporary folders  (Read 112 times)

gjuhasz

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TmoleX on windows looking for remote temporary folders
« on: October 03, 2022, 06:59:59 AM »
I am using Turbomole on a windows machine and remote servers.
I am using TMoleX to create input and examine the output on the windows installation, and using the remote servers for the actual calculations.

There is a glitch however in this process: when I try to visualize eg orbital of larger systems or start a new job from the output, it relies on the remote system.
Specifically, the windows version of Turbomole is explicitly looking for a TMP folder on the remote server hardcoded in the control file with a $tmp keyword.
Even if I manually erase this line, Turbomole automatically overwrites the control file, inserting back this %tmp generating the error. It is a problem eg when orbital visualization needs calculations on the windows machine.

the error message is:
The system cannot find the path specified.
The system cannot find the path specified.
The system cannot find the path specified.
forrtl: 致命的なエラー (29): ファイルが見つかりません。ユニット 11、ファイル D:\XXX  (where the path after D:\ is not from on the windows D drive but a garbled unix path from the remote machine)

How can I convince TMoleX/Turbomole to abandon its foolish ways and not try to use (and fail while trying) a remote temporary folder?
If I scrap all the calculations and perform a single point calculation on the same system using the xyz of optimized geometry, there is no error. However, it is a very slow and cumbersome solution, which also defeats the purpose of the remote server.


Thank you for your help
Gergely (Greg) Juhasz