TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: njitphdstudent on May 14, 2012, 06:01:48 PM

Title: problem running ccsd(t) locally in my PC
Post by: njitphdstudent on May 14, 2012, 06:01:48 PM

Hey all,

I am a PhD student, and I am totally new with Turbomole. I am using the TmoleX 3.2 Windows version. I am trying to run CCSD(T) calculations, and I keep on getting the error message:

did not find file:"CCBFDENOLDAA                                                                    "
 Error while opening file: CCBFDENOLDAA                                                                   
 ================================== I/O error =================================
 I/O module:    open_da
 last action:   open direct access file CCBFDENOLDAA
 unit:                     18
 I/O status:       1931503732
 internal status: used
 internal filename:CCBFDENOLDAA
 file is not yet open

Do I need to specify something specific when doing CCSD(T) calculations?

Thanks a lot for the help,

Itsaso

Title: Re: problem running ccsd(t) locally in my PC
Post by: uwe on May 18, 2012, 11:34:50 AM

Hello,

this is a known problem under Windows.

Your possibilities to get around it:

• use the Linux or MacOS version instead
• upgrade to TmoleX 3.3 which includes Turbomole 6.4
• run the CCSD(T) job not on your local Windows desktop but use the Run(network) button and run it on a remote Linux system

Regards,

Uwe