Problem installing Yambo5.0.2 (lib/qe_pseudo)

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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mirshowkat07
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Joined: Wed Sep 19, 2018 11:05 am
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Problem installing Yambo5.0.2 (lib/qe_pseudo)

Post by mirshowkat07 » Wed Apr 13, 2022 8:39 am

Deal all
In building the Yambo5.0.2, I am getting the following error.
There is no problem with configuration. The config file is attached herewith.
Kindly

>>>[Making qe_pseudo]<<<
<command-line>: warning: ISO C99 requires whitespace after the macro name
make[2]: Entering directory `/c12scratch/showkat/softwares/q-e-qe-6.7MaX-Release/yambo-5.0.2/lib/qe_pseudo'
Makefile:102: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[2]: Leaving directory `/c12scratch/showkat/softwares/q-e-qe-6.7MaX-Release/yambo-5.0.2/lib/qe_pseudo'
make[1]: *** [yambo] Error 2
make[1]: Leaving directory `/c12scratch/showkat/softwares/q-e-qe-6.7MaX-Release/yambo-5.0.2'
yambo build failed
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Best regards
Showkat Mir
Postdoctoral fellow
Department of Physics
HRI, Allahabad, India-211019

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: Problem installing Yambo5.0.2 (lib/qe_pseudo)

Post by Daniele Varsano » Wed Apr 13, 2022 8:56 am

Dear mirshowkat07,

please sign your post with your name,
From the config.log file, it seems you are mixing gfortran and intel compilers and this can cause problems.

Try to reconfigure by using:

Code: Select all

./configure \
 FC=ifort \
 F77=ifort \
 CPP="icc -E" \
 PFC=mpif90 \
 CC=icc \
MPIFC='mpiifort' \
MPICC='mpiicc' 
before reconfigurin you need to do:

Code: Select all

make clean_all
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/

mirshowkat07
Posts: 9
Joined: Wed Sep 19, 2018 11:05 am
Contact:

Re: Problem installing Yambo5.0.2 (lib/qe_pseudo)

Post by mirshowkat07 » Sun Apr 17, 2022 11:38 am

Dear Daniele Varsano
Thank you for the reply.
I will follow your suggestion.


with best regards
Showkat
Best regards
Showkat Mir
Postdoctoral fellow
Department of Physics
HRI, Allahabad, India-211019

mirshowkat07
Posts: 9
Joined: Wed Sep 19, 2018 11:05 am
Contact:

Re: Problem installing Yambo5.0.2 (lib/qe_pseudo)

Post by mirshowkat07 » Sun Apr 17, 2022 6:06 pm

Dear Daniele Varsano

I installed the Yambo with the configuration script you suggested, i.e
./configure FC=ifort F77=ifort CPP=icc -E PFC=mpif90 CC=icc MPIFC=mpiifort MPICC=mpiicc

The code is installed without any error message., but when I type yambo the following error arises
I have installed quantum_espresso_6.7 and yambo-5.0.4

yambo: cannot access CORE database (SAVE/*db1 and/or SAVE/*wf)

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor

Please help how to solve this problem.
Best regards
Showkat Mir
Postdoctoral fellow
Department of Physics
HRI, Allahabad, India-211019

User avatar
Daniele Varsano
Posts: 3773
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Problem installing Yambo5.0.2 (lib/qe_pseudo)

Post by Daniele Varsano » Mon Apr 18, 2022 4:44 pm

Dear Showkat,

this is not an error, Yambo is indeed telling you it cannot find the code databases.
You need first to convert the ground state calculated by QE using p2y before running yambo.
This is explained in this tutorial:
http://www.yambo-code.org/wiki/index.ph ... tandalone)

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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