ERROR message: | abi_xpotrf, info=7  [SOLVED]

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ucsdmavrl
Posts: 8
Joined: Fri Nov 11, 2016 2:24 am

ERROR message: | abi_xpotrf, info=7

Post by ucsdmavrl » Sat Nov 26, 2016 3:05 am

Dear ABINIT developers,

I meet the following error message when doing structure relaxation.
------------------------------------
--- !ERROR
message: |
abi_xpotrf, info=7
src_file: abi_xorthonormalize.f90
src_line: 106
...
-------------------------------------
I googled this error but still have no idea of what is happening. The convergence of each ionic steps and electronic steps look fine. I am really confused about why this error shows up.

Attached are the input and log files of this calculation.

Thanks,
Ben
Attachments
Ba3Si6N2O12-Eu0.in
(6.86 KiB) Downloaded 137 times
Ba3Si6N2O12-Eu0.out
(1018.48 KiB) Downloaded 145 times

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: ERROR message: | abi_xpotrf, info=7  [SOLVED]

Post by Jordan » Fri Jan 06, 2017 9:51 am

Hi,

You encountered a --too-- usual error in abinit when running in parallel. At the moment, there is no fix except changing by hand npband/bandpp/npfft instead of using autoparal.
Very soon, abinit will have a newer version of the algorithm causing this error which should then be avoided.

Cheers

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