[ERROR]Attempt to allocate an allocated object

[Bruno]

Hello,

I'm trying to run a calculation for GaAs and I'm getting the following error during the bse run:

<03s> P1: [ERROR] Allocation of GLOBAL_BS_MAT failed with code 5014
P1: [ERROR] STOP signal received while in[02.01] Transition Groups build-up @q1
P1: [ERROR]Attempt to allocate an allocated object

I have generated the screening/dipoles database with no problems, but I can't proceed with the BSE. I'm attaching the log output for one of the mpi during the calculation, and also the bse input and r- output. I'm not sure if it can be memory related, I've been trying to parallelize over k so far. Thank you in advance!

bse.tar.gz

Regards,

[Daniele Varsano]

Dear Bruno,

this does not seem a memory problem. Not easy to spot the problem.
What I can see is that you provide 8 cpus in the input while running with 64 MPI process. In this case yambo switch to a default assignation, this should not be a problem but can you try to run your job using 8MPI, or more by assigning them consistently and see if the problem disappear.

Best,
Daniele

[Bruno]

Hello,

Thank you for the fast reply. Indeed the wrong number of cores on the input was my bad, I was doing some testing and forgot to change it back. Although, using consistent numbers still leads to the same error unfortunately. Not sure of what's happening. I will perform some more tests to investigate.

Regards,

[Bruno]

Just a small update. For some reason reducing the number of included bands appears to solve the problem, I ran a quick test with just 1 valence and 1 conduction band and the calculation went through fine. I guess the BSE matrix size was the problem? I will do some more tests.

Regards,