Error arised while doing absorption diagonalization

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Maksim Fadeev

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Apr 10, 2025, 1:46:15 AM4/10/25
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Hello! I'm a student and I'm trying to calculate LiF optics with BerkeleyGW. I'm a totally new user, so sorry if this question is smth of a basis. I got this in absorption.out:
"Finished interpolating BSE kernel at 00:07:57.
Elapsed time: 50 s.

BLACS processor grid: 3 x 4; BLOCKSIZE = 64
Number of idle processors: 0

------------------------------------------------------------------------------------------------------------------------
prterun notices that process rank 3 with PID 8560 on node Ubuntu exited on
signal 9 (Killed).
------------------------------------------------------------------------------------------------------------------------"

I didn't get this message performing Si calculation. Number of k-points in the coarse grid k-grid: 125, fine K-grid: 10 10 10.

I'd like to ask you how to solve this problem.

Best Regards, Fadeev Maksim

Mauro Del Ben

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Apr 16, 2025, 3:00:31 PM4/16/25
to Maksim Fadeev, BerkeleyGW Help
Hi Fadeev Maksim,

It could be out of memory, try using more MPI ranks. 

Best

-M


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Maksim Fadeev

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Apr 21, 2025, 5:33:20 AM4/21/25
to BerkeleyGW Help, mde...@lbl.gov, BerkeleyGW Help, Maksim Fadeev
Hello!
Definitely, but don't have more :(
How could I overcome this?

Best
Maksim

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