ypp and yambo build failure during yambo compilation

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? 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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Jingjing Yu
Posts: 3
Joined: Fri May 20, 2022 9:05 pm

ypp and yambo build failure during yambo compilation

Post by Jingjing Yu » Sat May 21, 2022 3:04 pm

Dear developers,

I am a new beginner to learn how to use yambo to do the calculation.
I met one problem in the compilation process concerning the ypp and yambo linking failed.
The compiler error message is shown below:
yambo linking failed. Check logs/compile_yambo.log
make[1]: *** [config/mk/global/actions/compile_yambo.mk:41: yambo] Error 1
[ypp] Compilation Precision check"
make[4]: Nothing to be done for 'all'.
make[4]: Nothing to be done for 'all'.
make[4]: Nothing to be done for 'all'.
make[4]: Nothing to be done for 'all'.
make[4]: Nothing to be done for 'all'.
make[4]: Nothing to be done for 'all'.
[lib/qe_pseudo] qe_pseudo (checking work to be done)
[lib/slatec] slatec (checking work to be done)
[lib/math77] math77 (checking work to be done)
[lib/local] local (checking work to be done)
[lib/yambo/driver/src/interface] interface (checking work to be done)
[lib/yambo/driver/src/main] main (checking work to be done)
[lib/yambo/driver/src/options] options (checking work to be done)
[src/driver] driver (checking work to be done)
[src/tools] tools (checking work to be done)
[src/modules] modules (checking work to be done)
[src/memory] memory (checking work to be done)
[src/matrices] matrices (checking work to be done)
[src/linear_algebra] linear_algebra (checking work to be done)
[src/parallel] parallel (checking work to be done)
[src/parser] parser (checking work to be done)
[src/communicate] communicate (checking work to be done)
[src/common] common (checking work to be done)
[src/timing] timing (checking work to be done)
[src/Yio] Yio (checking work to be done)
[src/io] io (checking work to be done)
[src/xc_functionals] xc_functionals (checking work to be done)
[src/interface] interface (checking work to be done)
[src/stop_and_restart] stop_and_restart (checking work to be done)
[src/wf_and_fft] wf_and_fft (checking work to be done)
[src/bz_ops] bz_ops (checking work to be done)
[src/coulomb] coulomb (checking work to be done)
[src/interpolate] interpolate (checking work to be done)
[src/qp_control] qp_control (checking work to be done)
[src/setup] setup (checking work to be done)
[src/interface] interface (checking work to be done)
[src/tddft] tddft (checking work to be done)
[src/dipoles] dipoles (checking work to be done)
[src/pol_function] pol_function (checking work to be done)
[src/el-ph] el-ph (checking work to be done)
[src/qp] qp (checking work to be done)
[src/bse] bse (checking work to be done)
[ypp/modules] modules (checking work to be done)
[ypp/interface] interface (checking work to be done)
[ypp/qp] qp (checking work to be done)
[ypp/plotting] plotting (checking work to be done)
[ypp/k-points] k-points (checking work to be done)
[ypp/symmetries] symmetries (checking work to be done)
[ypp/bits] bits (checking work to be done)
[ypp/electrons] electrons (checking work to be done)
[ypp/dipoles] dipoles (checking work to be done)
[ypp/excitons] excitons (checking work to be done)
[driver] ypp (checking work to be done)
[driver] ypp (link)
ypp linking failed. Check logs/compile_ypp.log
make[1]: *** [config/mk/global/actions/compile_ypp.mk:48: ypp] Error 1
ypp build failed "
The version of yambo I used is yambo-5.1.0. And the details of compilation is shown below:
" export CC=gcc
export FC=gfortran
export F77=gfortran

export MPICC=mpicc
export MPIFC=mpif90
export MPIF77=mpif77

export CFLAGS=-O3
export FCFLAGS=-O3
export FFLAGS=-O3

./configure \
--enable-memory-profile --disable-open-mp --enable-iotk \
--with-blas-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" \
--with-lapack-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" \
--with-blacs-libs="-lmkl_blacs_openmpi_lp64" \
--with-scalapack-libs="-lmkl_scalapack_lp64" \
--with-fft-libs="-mkl" \
--with-iotk-path="$HOME/software/qe-7.0-ReleasePack/qe-7.0/S3DE/iotk" "

I don't know how to fix it. And I checked forum but I didn't find the solution. Could you please help me to check it?

Thank you very much!

Best regards,
Jingjing

User avatar
Daniele Varsano
Posts: 3354
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: ypp and yambo build failure during yambo compilation

Post by Daniele Varsano » Mon May 23, 2022 7:47 am

Dear Jingjing,

can you please post the logs/compile_ypp.log file?

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/

Jingjing Yu
Posts: 3
Joined: Fri May 20, 2022 9:05 pm

Re: ypp and yambo build failure during yambo compilation

Post by Jingjing Yu » Mon May 23, 2022 2:06 pm

Dear Daniele,

Thank you for your reply. The logs file has been attached.

Best regards,
Jingjing
You do not have the required permissions to view the files attached to this post.

User avatar
Daniele Varsano
Posts: 3354
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: ypp and yambo build failure during yambo compilation

Post by Daniele Varsano » Mon May 23, 2022 4:32 pm

Dear Jingjing,

it seems there are problem in finding the iotk libraries, I suggest you the following:

1) make clean_all (or distclean)
2) reconfigure the code removing from your script the line: --with-iotk-path="$HOME/software/qe-7.0-ReleasePack/qe-7.0/S3DE/iotk" " (note you have a double "), anyway I suggest to remove it completely
3) make core

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/

Jingjing Yu
Posts: 3
Joined: Fri May 20, 2022 9:05 pm

Re: ypp and yambo build failure during yambo compilation

Post by Jingjing Yu » Mon May 23, 2022 5:46 pm

Dear Daniele,

Really appreciate for your help! I tried your method and now the compilation is successful.

Thank you very much!

Best regards,
Jingjing

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