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

Total energy, DFT+U, BigDFT,...

Moderator: amadon

ERROR message: | abi_xpotrf, info=7

Postby ucsdmavrl » Sat Nov 26, 2016 4:05 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 129 times
Ba3Si6N2O12-Eu0.out
(1018.48 KiB) Downloaded 135 times
ucsdmavrl
 
Posts: 8
Joined: Fri Nov 11, 2016 3:24 am

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

Postby Jordan » Fri Jan 06, 2017 10:51 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Very soon, abinit will have a newer version of the algorithm causing this error which should then be avoided.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
Jordan
 
Posts: 281
Joined: Tue May 07, 2013 9:47 am


Return to Ground state

Who is online

Users browsing this forum: No registered users and 2 guests