Question on compilation

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? Problems in GPU architectures? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
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m.shahrokhi
Posts: 6
Joined: Mon Feb 11, 2013 3:36 pm

Question on compilation

Post by m.shahrokhi » Wed Jan 22, 2014 7:32 pm

I am new in YAMBO and I have a question about compiling YAMBO. I installed the Yambo code under pwscf code. The Yambo code compiled successfully, but ypp didn't compile and there was not ypp in my bin directory. How can I compile ypp? What was my mistake?
Thanks in advance
Masoud
Masoud
Physics Department, Faculty of Science
Razi University

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Daniele Varsano
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Re: Question on compilation

Post by Daniele Varsano » Wed Jan 22, 2014 8:49 pm

Dear Masoud,
this is not the right place to post your question. For a new question you should open a new topic or reply to a topic with the same issue you are encountering. Anyway, do not worry I will move it later.
About your question, it is not easy to answers as you should describe the step you did to understand what is missing.
Anyway after having run the configure script, by typing :
  • make yambo you will compile the yambo code
  • make interfaces you will compile the interfaces with abinit and pwsc if you configured it
  • make ypp you will compile the ypp utility
If you did that and you do not have the ypp executable you should have received some error in compilations: post the error (together with the config.log) file and we will try to understand what went wrong.

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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Davide Sangalli
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Re: Question on compilation

Post by Davide Sangalli » Fri Jan 24, 2014 11:10 pm

Ok. I've moved the post in the proprier section.
Davide
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
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m.shahrokhi
Posts: 6
Joined: Mon Feb 11, 2013 3:36 pm

Re: Question on compilation

Post by m.shahrokhi » Wed Feb 26, 2014 3:21 pm

Dear Davide
Thanks for your reply
Now I have ypp in my bin directory. I want to use 'ypp' to analyze the DOS and Band structure. I just finished G0W0 for Si crystal. How can I plot DOS or Band structure? I did "ypp -s e" for DOS but the ypp.in file is empty! How do I call the input parameters for ypp.in and how do I run ypp?
Thanks in advance
Masoud
Physics Department, Faculty of Science
Razi University

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Daniele Varsano
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Re: Question on compilation

Post by Daniele Varsano » Wed Feb 26, 2014 5:28 pm

Dear Masoud,
please, pay attention where you post your question. This is a question on ypp, there is a forum dedicated and there is no reason to post it in compilation section.
It is very strange your input file is empty. Are you running ypp -s e or ypp -s b in the proper directory, i.e. is there the SAVE directory where you are running it?

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/

m.shahrokhi
Posts: 6
Joined: Mon Feb 11, 2013 3:36 pm

Re: Question on compilation

Post by m.shahrokhi » Wed Feb 26, 2014 8:58 pm

Dear Daniele
thank you
Yes there is the SAVE directory where I am running it. Also there are output files of yambo such as o.qp and r_HF_and_locXC_em1d_ppa_gw0 in this directory. When I did "ypp -s e" or "ypp -s b" I just saw:

# ____ ____ _ ____ ____ ______ ___
# |_ _||_ _| / \ |_ \ / _||_ _ \ ." `.
# \ \ / / / _ \ | \/ | | |_) | / .-. \
# \ \/ / / ___ \ | |\ /| | | __". | | | |
# _| |_ _/ / \ \_ _| |_\/_| |_ _| |__) |\ `-" /
# |______||____| |____||_____||_____||_______/ `.___."
#
# GPL Version 3.2.5 Revision 1015
# http://www.yambo-code.org
#
electrons # [R] Electrons (and holes)

Without any input parameter! Could you please tell me what is my wrong?
Best regards,
Masoud Shahrokhi
Masoud
Physics Department, Faculty of Science
Razi University

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Daniele Varsano
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Re: Question on compilation

Post by Daniele Varsano » Thu Feb 27, 2014 2:21 am

Dear Masoud,
from what I can see here:
# GPL Version 3.2.5 Revision 1015
you are using a very old release of Yambo. Note that the online documentation is for version 3.3.0 and 3.4.0.
I think that in the version you are using this features where not implemented.
Please download and compile a recent version of the code and everything should work.
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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