[Wien] New Issue with SCF cycle WIEN2k19.2 (was working previously)

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Jun 12 09:35:23 CEST 2020


The message

hup: command not found

is of no importance and you can neglect it.

Am 11.06.2020 um 23:54 schrieb Johnathon Street:
> Thank you for the response. just rebuilt lapw0 and continue to get the 
> same errors. We added a complex para to the para target and are getting 
> make error 127 on many .o fies. Do you recommend a full recompile as the 
> next best option?
> 
> Thanks
> Johnathon Street
> ------------------------------------------------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of 
> Tran, Fabien <fabien.tran at tuwien.ac.at>
> *Sent:* Thursday, June 11, 2020 1:58 PM
> *To:* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Subject:* Re: [Wien] New Issue with SCF cycle WIEN2k19.2 (was working 
> previously)
> 
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06444.html 
> [mail-archive.com] 
> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06444.html__;!!LNEL6vXnN3x8o9c!wTAIdiOhOJtaoemg3h1I-LYy1maPRFRXtPjsUgzb8tg1drElt9L4FpXicVuodaS6$> 
>> 
> 
> ------------------------------------------------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of 
> Johnathon Street <jstreet1 at csub.edu>
> *Sent:* Thursday, June 11, 2020 10:45 PM
> *To:* A Mailing list for WIEN2k users
> *Subject:* [Wien] New Issue with SCF cycle WIEN2k19.2 (was working 
> previously)
> Dear WIEN users,
> 
> I am running WIEN2k19.2. Initially SCF cycle for WIEN2k was running with 
> no issues. I was having an issue running Octave but have got Octave 
> running and SCF cycle now gives message:
> hup: Command not found.
> STOP  LAPW0 END​
> STOP  LAPW1 END​
> STOP  LAPW2 END​
> STOP  CORE  END​
> STOP  MIXER END​
> ec cc and fc_conv 0 1 1​
> in cycle 2    ETEST: 0   CTEST: 0​
> hup: Command not found.
> 
> Is this a wrong library issue? Wien2k was built with /opt/OpenBlas but 
> we set the system libblas to the blas installed by the package manager 
> to get octave to work.
> Any help is greatly appreciated.
> 
> Thank You
> Johnathon Street
> 
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671


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