Yambo Community Forum

Thank you so much Professor for your guidance.

I am working with the version that included in the tutorial but it is giving me the following error in the BSE section after running this command( yambo_ph -X s -o b -y d -V qp -k sex) :

[ERROR] STOP signal received while in[07.01.05.03] Main kernel loop

[ERROR] Writing File ./SAVE//ndb.BS_Q1_CPU_0; Variable L_kind; NetCDF: Attempt to convert between text & numbers

Could you please look at them and see if you have some idea why this is happening?
Also , professor, I calculated the first section( for electron phonon coupling) and then started from directory : QPT12/dvscf/bn.save for the BSE calculation, and run the command ( yambo_ph -X s -o b -y d -V qp -k sex) which contain 3 step in BSE calculation and got above errors. Do you think I understood the tutorial correctly? Or for BSE section, I should create a new directory and get the SAVE file(contains wave functions) and run the command : yambo_ph -X s -o b -y d -V qp -k sex?

The reason that I started from folder: QPT12/dvscf/bn.save was that I thought so in this folder I have the wavefunctions already. Your guidance would be very helpful. Thank you so much in advance.

Dear all,
I am running a BSE calculation for a 2D monolayer system.I am using a dense k-mesh grid, and my calculation could not finish because of wall time was not enough. Does it possible to rerun this calculation again from where it stopped earlier? in the output directory, I have these two files ndb.BS_PAR_Q1 and ndb.BS_PAR_Q1-3357605889-3543589.loc.
I would be happy to get a helpful answer from developers and other members.
Thank you

Dear Nilesh,

yes, if you are using parallel I/= as it seems, you can restart the BSE calculation by just rerunning it.

Best,
Daniele

Dear Daniele
Thank you for your helpful reply! I will proceed with rerunning the BSE calculation from the same output directory, as you suggested.

Dear Nilesh,

I will check the tutorial next week and make you know

best
Claudio

Dear Professor Claudio Attaccalite

I apologize for revisiting this issue, but we continue to encounter the following error despite carefully following the exciton-phonon coupling tutorial in Yambo v5.2:
[[ERROR] STOP signal received while in[07.01.05.03] Main kernel loop

[ERROR] Writing File ./SAVE//ndb.BS_Q1_CPU_0; Variable L_kind; NetCDF: Attempt to convert between text & numbers]
Given the nature of the errors, we suspect a possible netCDF compatibility issue. Our HPC support team has tested two installations:
One using the internal netCDF library (v4.9.0)
Another with an external netCDF (v4.9.2)
However, the error persists in both cases. Notably, the issue does not occur in Yambo v5.3, though unfortunately, this version lacks exciton-phonon coupling functionality.
Could you kindly advise whether netCDF might indeed be the root cause, or if there are alternative solutions we might explore? Any guidance on resolving this would be greatly appreciated.
Thank you for your time and support.

Dear Claudio,
Thank you. Well, I tried to rerun BSE again with not make any changes in input file. I am running the job on 12 nodes (384 CPUs). It's already more than 4 days but the calculation just read the partial BSE file found for using the restart and loaded partial kernel. Since then, the calculation is running continuously but nothing new updated.
For more clarity, I attached two snapshots. Please have a look.
Thank you

Best Regards