Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
(It is not necessary to upload input files, they can be found in the output file.)
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ankit7540
- Posts: 28
- Joined: 05 Sep 2015, 10:49
- First name(s): ANKIT
- Last name(s): RAJ
- Affiliation: National Chiao Tung University
- Country: Taiwan, Province of China
Post
by ankit7540 » 19 Dec 2016, 09:20
Hello all,
While running vibrational analysis I received the following error :
--> ERROR (GPOPEN) TRYING TO OPEN A NON-EXISTING OLD FILE
--> A FILE HAS BEEN SPECIFIED TO BE OLD,
--> BUT THE FILE DOES NOT EXIST
but my calculation is a single point vibrational analysis. Hence I give all information required for the run in the input files and I think I do not need to provide any other file (like .tar.gz of previous run).
But maybe I am missing something here and my understanding is not correct.
Any suggestions for this.
Thank you.
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Attachments
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- output_with_error.out
- Output_file ( error GPOEN)
- (54.68 KiB) Downloaded 181 times
Best regards.
Ankit
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kennethruud
- Posts: 252
- Joined: 27 Aug 2013, 16:42
- First name(s): Kenneth
- Last name(s): Ruud
- Affiliation: UiT The Arctic University of Norway
- Country: Norway
Post
by kennethruud » 19 Dec 2016, 10:51
You have specified
.MOSTART
NEWORB
which suggests you are going to restart from orbitals available on the file SIRIUS.RST, which you then probably have not copied to your scratch directory. Either ensure this file is copied to the scratch directory or remove/comment these two lines of the input file.
Best regards,
Kenneth
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ankit7540
- Posts: 28
- Joined: 05 Sep 2015, 10:49
- First name(s): ANKIT
- Last name(s): RAJ
- Affiliation: National Chiao Tung University
- Country: Taiwan, Province of China
Post
by ankit7540 » 20 Dec 2016, 07:38
Thank you for your reply.
It was my mistake to include that. I ran the same job after removing the '.MOSTART' lines and the calculation happens to give a segmentation error.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
I will make a new post for this situation.
Best regards.
Ankit
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