Dear Gavin
Thank you very much for the detailed istallation descriptions. It should
be very useful for new users.
If you allow, I'll make a link at the installation page to these 2
documents.
I've only one comment: You also installed the mpi version of the code
but you did not install ELPA.
Without ELPA the lapw1mpi code is quite slow and thus of limited use.
I very much recommend to install ELPA if you want also the mpi version
of the code. Note, that this mpi-compilation is only useful if you have
a cluster with infiniband network or at least a very powerful multicore
workstation (probably min 16 cores).
Best regards
Peter Blaha
Am 28.05.2023 um 20:10 schrieb Gavin Abo:
I was able to compile and link without any build errors a fresh
install of WIEN2k 23.2 using gfortran 11.3.0 in Ubuntu 22.04.2 LTS
today. Should it be of interest to anyone installing the 23.2 version
of WIEN2k, the PDF in which I recorded the steps should be at:
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf
Kind Regards,
Gavin
WIEN2k user
On 5/28/2023 9:57 AM, Ilias Miroslav, doc. RNDr., PhD. wrote:
Hello,
after lenghty compilation of Wien2k the linking step crashed. It
there a quick way just to fix the linking command and relink the code
for getting final executables ?
Wien2k setup offers only recompilation of the whole bunch, without
checking if files were previously compiled.
Best, Miro
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
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WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at
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