[gpaw-users] ValueError: Davidson eigensolver does not support band parallelization?

[Pu ZHANG]

Hi, all!

When I run the tutorial example Structure optimization (see
https://wiki.fysik.dtu.dk/gpaw/tutorials/H2/optimization.html), I get some
error. From the error messages I can see something like:

****************************************************************************
* hwloc has encountered an out-of-order topology discovery.
* An object with cpuset 0x0000000a was inserted after object with 0x0
* Please check that your input topology (XML file, etc.) is valid.
****************************************************************************

librdmacm: Fatal: no RDMA devices found

ValueError: Davidson eigensolver does not support band parallelization.
 This calculation parallelizes over 2 band groups.

Besides, I attach the error log with the email.

I just copied the script from the tutorial. Is there anything wrong with
the eigensolver?

Thanks!
Best regards, Pu Zhang
--
Postdoc
The group of Structured Electromagnetic Materials
Department of Photonics Engineering
Technical University of Denmark
Ørsteds Plads, Building 345v, 166
2800, Kgs. Lyngby
E-mail: puzha at fotonik.dtu.dk
Homepage: http://www.dtu.dk/Service/Telefonbog/Person?id=91944&tab=0
Phone: 45 25 36 43
Fax: 45 93 65 81
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