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Nuclear data processing with legacy NJOY
https://www.njoy21.io/NJOY2016
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TENDL deuteron ACE formatting #184

Closed psauvan closed 2 years ago

psauvan commented 3 years ago

There is a problem when processing new deuteron TENDL 2017 and 2019 libraries into ACE format. These ace files produced by NJOY including photon emision do not work properly with MCNP6 deuteron transport.

This error is due to a missing reaction (MT number) in the acefc.f90 subroutine in the "if" sentence at line 5356. In this instruction all the reactions producing the incident particle in the out channel should be listed. In this case, the reaction MT11 is missing.

To fix the problem, the correct instruction should be :

     if (mt.eq.2.or.mt.eq.11.or.mt.eq.32.or.mt.eq.35.or.&
       mt.eq.104.or.mt.eq.114.or.mt.eq.115.or.mt.eq.117.or.&
       mt.eq.157.or.mt.eq.158.or.mt.eq.169.or.&
       mt.eq.170.or.mt.eq.171.or.mt.eq.182.or.&
       mt.eq.183.or.mt.eq.185.or.mt.eq.187.or.&
       mt.eq.192.or.&
       (mt.ge.650.and.mt.le.699)) iskip=0

Patrick

whaeck commented 3 years ago

@psauvan Can you point me to a TENDL file that I can use as a test case for this issue? Thanks.

psauvan commented 3 years ago

Dear Win,

Any deuteron TENDL files having explicit MT11 channel should be processed incorrectly. For instance, I have seen that Al27 file from TENDL2017 https://tendl.web.psi.ch/tendl_2017/deuteron_file/Al/Al027/lib/endf/d-Al027.tendl is not processed because the ACER module crash with an error message.

For Al27 file from TENDL 2019 https://tendl.web.psi.ch/tendl_2019/deuteron_file/Al/Al027/lib/endf/d-Al027.tendl the acer module finish the processing but provides an incorrect ACE file.

Best regards, Patrick

De: Wim Haeck @.> Enviado el: jueves, 13 de mayo de 2021 18:36 Para: njoy/NJOY2016 @.> CC: PATRICK SAUVAN - @.>; Mention @.> Asunto: Re: [njoy/NJOY2016] TENDL deuteron ACE formatting (#184)

@psauvanhttps://github.com/psauvan Can you point me to a TENDL file that I can use as a test case for this issue? Thanks.

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jchsublet commented 3 years ago

@whaeck @psauvan

There is some subtlety that you may need to account for regarding Acer charge particle processing. This is nicely explained from slides 25 of https://www-nds.iaea.org/index-meeting-crp/TM%20FENDL/docs/IAEA.FENDL_meeting2019.SKwon_rev3.pdf.

Regarding TENDL, TENDL-2019 supersedes TENDL-2017 (that had another more problematic format bug in the neutron production of mt=5) but may be more importantly for the matter in hand exist in more than one format, not at all equivalent regarding their respective processing for transport. For charge particles the s0 form (all implicit) is recommended as it mature nicely during the Acer processing steps that should all include a verifying 7 option, see https://tendl.web.psi.ch/tendl_2019/tar.html

Regarding the s30 forms (explicit up to 30 MeV, implicit afterward) Acer processing I gather that for charge particles this is very much in the making. My experience on some 283 stable targets of TENDL-2019 is that that it does run for the first Acer, but partially fails on the verifying ones and above all lead to weird MCNP messages when plugged into a realistic MCNP-6.2 simulation run.

psauvan commented 3 years ago

The bug (or at least its resolution) reported in slide 25 of the IAEA FENDL meeting document is the same I have reported here. I didn’t know that it was identified yet.

De: jchsublet @.> Enviado el: viernes, 14 de mayo de 2021 9:22 Para: njoy/NJOY2016 @.> CC: PATRICK SAUVAN - @.>; Mention @.> Asunto: Re: [njoy/NJOY2016] TENDL deuteron ACE formatting (#184)

@whaeckhttps://github.com/whaeck @psauvanhttps://github.com/psauvan

There is some subtlety that you may need to account for regarding Acer charge particle processing. This is nicely explained from slides 25 of https://www-nds.iaea.org/index-meeting-crp/TM%20FENDL/docs/IAEA.FENDL_meeting2019.SKwon_rev3.pdf.

Regarding TENDL, TENDL-2019 supersedes TENDL-2017 (that had another more problematic format bug in the neutron production of mt=5) but may be more importantly for the matter in hand exist in more than one format, not at all equivalent regarding their respective processing for transport. For charge particles the s0 form (all implicit) is recommended as it mature nicely during the Acer processing steps that should all include a verifying 7 option, see https://tendl.web.psi.ch/tendl_2019/tar.html

Regarding the s30 forms (explicit up to 30 MeV, implicit afterward) Acer processing I gather that for charge particles this is very much in the making. My experience on some 283 stable targets of TENDL-2019 is that that it does run for the first Acer, but partially fails on the verifying ones and above all lead to weird MCNP messages when plugged into a realistic MCNP-6.2 simulation run.

— You are receiving this because you were mentioned. Reply to this email directly, view it on GitHubhttps://github.com/njoy/NJOY2016/issues/184#issuecomment-841065787, or unsubscribehttps://github.com/notifications/unsubscribe-auth/AE2XYPD346A4HJP2CQS7K2TTNTFSJANCNFSM4UA6EMFQ.

AVISO LEGAL. Este mensaje puede contener información reservada y confidencial. Si usted no es el destinatario no está autorizado a copiar, reproducir o distribuir este mensaje ni su contenido. Si ha recibido este mensaje por error, le rogamos que lo notifique al remitente. Le informamos de que sus datos personales, que puedan constar en este mensaje, serán tratados en calidad de responsable de tratamiento por la UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA (UNED) c/ Bravo Murillo, 38, 28015-MADRID-, con la finalidad de mantener el contacto con usted. La base jurídica que legitima este tratamiento, será su consentimiento, el interés legítimo o la necesidad para gestionar una relación contractual o similar. En cualquier momento podrá ejercer sus derechos de acceso, rectificación, supresión, oposición, limitación al tratamiento o portabilidad de los datos, ante la UNED, Departamento de Política Jurídica de Seguridad de la Informaciónhttps://www.uned.es/dpj, o a través de la Sede electrónicahttps://sede.uned.es/ de la Universidad. Para más información visite nuestra Política de Privacidadhttps://descargas.uned.es/publico/pdf/Politica_privacidad_UNED.pdf.

whaeck commented 2 years ago

Fixed.