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TRIQS / triqs_0.x

DEPRECATED -- This is the repository of the older versions of TRIQS
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TRIQS and Wien2k installation does not commute. #145

Closed Swagataacharya closed 10 years ago

Swagataacharya commented 11 years ago

Hi Myself Swagata.

I am trying to install both TRIQS and Wien2k and want to do the due interfacing to run "dmftproj" properly. But I came to know that the installation do not commute. Can you tell me which one is to be installed first on my laptop in UBUNTU 12.04?

And what can be the possible steps?

However, I have installed TRIQS already successfully. Thanks

aichhorn commented 11 years ago

Hi Swagata, The installations almost commute. It is easy to do. You install Wien2k, but version 11.1 or newer! The only thing you have to do then is to go to your TRIQS installation directory, to the subfolder share/triqs/Wien2k_SRC_files/SRC_templates and copy everything there into your $WIENROOT/SRC_templates. Done. If you want to run charge-self consistent, then you have to do little changes in the run_lapw script of Wien, that is to replace the 'mpirun -np $NSLOTS python_with_DMFT ..." statement with the proper mpirun statement of your system. And the executable is not python_with_DMFT but pytriqs. I hope that helped.

Swagataacharya commented 11 years ago

@aichhorn

many thanks for the details. The moment I get stuck or even if I get through I will let you know.