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Problem installing Yambo5.0.2 (lib/qe_pseudo)

Posted: Wed Apr 13, 2022 8:39 am
by mirshowkat07
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

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

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

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

Posted: Sun Apr 17, 2022 11:38 am
by mirshowkat07
Dear Daniele Varsano
Thank you for the reply.
I will follow your suggestion.


with best regards
Showkat

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

Posted: Sun Apr 17, 2022 6:06 pm
by mirshowkat07
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.

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

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