Yambo Community Forum

Dear all,

I am trying to run the yambo exmaple(http://www.yambo-code.org/tutorials/GW/index.php).
By this tutorial, I run step a (yambo), step b (yambo -x -F INPUTS/01HF_corrections), step c (yambo -F INPUTS/01HF_corrections -J HF_7Ry).
Step a and b are ok. But Step c has the following errors.

<---> [01] Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Energies [ev] & Occupations
<---> [03] Transferred momenta grid
<---> [04] Bare local and non-local Exchange-Correlation
<---> [FFT-HF/Rho] Mesh size: 12 12 12
<---> [WF-HF/Rho loader] Wfs (re)loading |####################| [100%] --(E) --(X)
<---> EXS |####################| [100%] --(E) --(X)forrtl: severe (66): output statement overflows record, unit -5, file Internal Formatted Write

Yambo is compiled by ifort + mkl with a version 3.2.5. Any reply will be much appreciated.


Jiatao SUN

Dear Jiatao,
I suggest you to update to a newer version of yambo, even if your problem it is not related to that.
If the problem persist, please post also you config.log file and input and report files of the calculations and we will have a look.

Best,
Daniele

Dear Daniele,

Really appreciated for your prompt response.
I have changed into newest stable version 3.3.0-rev41. This error was gone.
But it is weird that the log file has some unrecognized characters.
Please see the line 251 of the attached file. This is reasonable?

Regards,
Jiatao Sun

Dear Jiatao,
you are right, it is weird. Anyway, do not worry about that, as it does not compromise the calculation, it looks a problem of read/write of characters. We will have a look on that, even if it could be a compilation problem. You are still running the tutorial inputs using the tutorial databases?

Best,

Daniele

Dear Daniele,

I am having the "output statement overflows record" error while running ypp for band interpolation. I was trying to reproduce the band structures from DFT for graphene using the band interpolation in ypp.
I am using ypp GPL Version 4.0.0 Revision 81 the input
1. From groundstate I generated the database using and then followed by 2. After that I was trying to do a band interpolation using The input file for ypp is attached. The error I am getting is

<04s> [Interp err] Max, Avg, Avg_rel = 4.27230473E-12 2.64704185E-13 1.35135135E-03forrtl: severe (66): output statement overflows record, unit -5, file Internal Formatted Write

What me be the solution for this ?

Regards

Dear Soumyajyoti,

two issues:
1) after the p2y interface, yo need to run a setup (yambo -i) to generate input file and then run yambo.
2) In you ypp input the band range is missing e.g.:

You can have a look the example here.

Best,
Daniele

Dear Daniele,

I have followed your suggestion, but still I am having this problem. I have generated the setup and then ran yambo.
I am attaching the setup log file and the input file for ypp. I am trying to compile the stable version of yambo to see if I can reproduce the error in that.

Regards

Soumyajyoti

Dear Soumyajyoti,
I can see and extra % symbol at the end of the input file that could disturb.
Best,
Daniele