Dear Stephan,
I was working with AmberTools22, patches 1 through 5. I updated to AmberTools23, and the error was fixed.
Thanks!
Lorenzo Cupellini
________________________________
Da: Stephan Schott <s.schott-verdugo.fz-juelich.de>
Inviato: giovedì 14 marzo 2024 16:51:44
A: Lorenzo Cupellini; AMBER Mailing List
Oggetto: Re: [AMBER] Boost Error in MoFT - metatwist
Hi Lorenzo,
Can you specify which Amber/AmberTools version and patches you are running? There was an error in metatwist, but this should have been dealt with in AmberTools23.
Best regards,
Stephan Schott Verdugo
Biochemist
Computational Biophysical Chemistry
Institut für Bio- und Geowissenschaften / Bioinformatik (IBG-4)
Forschungszentrum Jülich GmbH
Wilhelm-Johnen-Straße, 52425 Jülich
Germany
---------------------------------------------------------------------------------------------
---------------------------------------------------------------------------------------------
Forschungszentrum Jülich GmbH
52425 Jülich
Sitz der Gesellschaft: Jülich
Eingetragen im Handelsregister des Amtsgerichts Düren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDir Stefan Müller
Geschäftsführung: Prof. Dr. Astrid Lambrecht (Vorsitzende),
Karsten Beneke (stellv. Vorsitzender), Dr. Ir. Pieter Jansens
---------------------------------------------------------------------------------------------
---------------------------------------------------------------------------------------------
El jue, 14 mar 2024 a la(s) 3:21 p.m., Lorenzo Cupellini via AMBER (amber.ambermd.org<mailto:amber.ambermd.org>) escribió:
Dear Amber Developers and Users,
I have been attempting the Amber tutorial /"Placing waters and ions
using 3D-RISM and MOFT"
/(
https://ambermd.org/tutorials/advanced/tutorial34/index.html), using
Amber 22. I get the following error when running `metatwist` to place
water oxygens:
terminate called after throwing an instance of
'boost::exception_detail::clone_impl<boost::exception_detail::error_info_injector<boost::io::too_many_args>
>'
what(): boost::too_many_args: format-string referred to fewer
arguments than were passed
I could replicate the error on various OpenSUSE and RockyLinux machines.
The error appears just as the first element of the "blobs" is being
printed, and points to an error in the format string.
I could not fix the error by forcing the internal Boost libraries as
suggested in
http://archive.ambermd.org/202206/0048.html
There indeed appears to be missing element in the format string at line
1484 of the file AmberTools/src/moft/metatwist/Density.hpp ; adding an
additional element fixed the problem for me.
Regards,
Lorenzo Cupellini
--
Dr. Lorenzo Cupellini
Dipartimento di Chimica e Chimica Industriale
Università di Pisa
Via Moruzzi 13
56124 PISA (Italy)
orcid.org/0000-0003-0848-2908<
http://orcid.org/0000-0003-0848-2908>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org<mailto:AMBER.ambermd.org>
http://lists.ambermd.org/mailman/listinfo/amber
------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------
Forschungszentrum Jülich GmbH
52425 Jülich
Sitz der Gesellschaft: Jülich
Eingetragen im Handelsregister des Amtsgerichts Düren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDir Stefan Müller
Geschäftsführung: Prof. Dr. Astrid Lambrecht (Vorsitzende),
Karsten Beneke (stellv. Vorsitzender), Dr. Ir. Pieter Jansens
------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------
Forschungszentrum Jülich GmbH
52425 Jülich
Sitz der Gesellschaft: Jülich
Eingetragen im Handelsregister des Amtsgerichts Düren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDir Stefan Müller
Geschäftsführung: Prof. Dr. Astrid Lambrecht (Vorsitzende),
Karsten Beneke (stellv. Vorsitzender), Dr. Ir. Pieter Jansens
------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 15 2024 - 09:30:02 PDT
