I am trying to install Lumen on TGCC French national supercomputer cluster Irene. On this cluster, it seems to be forbidden to download packages from web. Thus, Lumen is not able to retrieve them. Is it possible to manually store them somewhere such that Lumen will detect them and skip download?
The question is resolved, I received following answer from a developer:
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Yes it is possible
put lumen on a PC where you can download packages
make download
all libraries will be downloaded in
lib/archive
now or you copy all file in lib/archive on TGCC in the same folder
or just do a tgz of all lumen folder with downloaded packages and copy it to TGCC
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Thanks!
Warm regards,
Aseem
Aseem Rajan Kshirsagar
Inorganic Theoretical Chemistry Unit
Rennes Institute of Chemical Sciences (ISCR, UMR 6226), CNRS
University of Rennes, France
I was able to install Lumen successfully on TGCC Irene (French national supercomputer). Thanks!
However, I realised that the GW corrections seem to vary wildly depending on the linear algebra packages linked during installation. Linking to pre-installed MKL seems to be give rise to some issues particularly for GW. However, falling back to the linear algebra packages shipped with Yambo seems to resolve this issue. Perhaps, this may be already known.
Warm regards,
Aseem
Aseem Rajan Kshirsagar
Inorganic Theoretical Chemistry Unit
Rennes Institute of Chemical Sciences (ISCR, UMR 6226), CNRS
University of Rennes, France