output statement overflows record error

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output statement overflows record error

Postby jtsun » Thu Jun 20, 2013 7:03 am

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
Jiatao Sun

Institute of Physics, Chinese Academy of Sciences
University of Utah
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Re: output statement overflows record error

Postby Daniele Varsano » Thu Jun 20, 2013 10:48 am

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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Re: output statement overflows record error

Postby jtsun » Thu Jun 20, 2013 8:38 pm

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
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Jiatao Sun

Institute of Physics, Chinese Academy of Sciences
University of Utah
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Posts: 2
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Re: output statement overflows record error

Postby Daniele Varsano » Thu Jun 20, 2013 11:47 pm

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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Re: output statement overflows record error

Postby shaldar » Tue Jun 09, 2015 10:49 am

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
Code: Select all
p2y
and then followed by
Code: Select all
yambo

2. After that I was trying to do a band interpolation using
Code: Select all
ypp -s b

The input file for ypp is attached.
ypp.txt


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
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Soumyajyoti Haldar
PhD student
Div. of Materials Theory
Dept. of Physics & Astronomy
Uppsala University, Sweden
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Re: output statement overflows record error

Postby Daniele Varsano » Tue Jun 09, 2015 11:02 am

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.:
Code: Select all
(% BANDS_range            #
4 | 5 |         #   Bands Range
%


You can have a look the example here.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Re: output statement overflows record error

Postby shaldar » Tue Jun 09, 2015 1:42 pm

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
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Soumyajyoti Haldar
PhD student
Div. of Materials Theory
Dept. of Physics & Astronomy
Uppsala University, Sweden
shaldar
 
Posts: 17
Joined: Mon Apr 13, 2015 1:33 pm

Re: output statement overflows record error

Postby Daniele Varsano » Tue Jun 09, 2015 3:47 pm

Dear Soumyajyoti,
I can see and extra % symbol at the end of the input file that could disturb.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Posts: 1985
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