yambo 5.1.1 failed with oneapi-2022.3

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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chichenyulong
Posts: 1
Joined: Tue Jul 01, 2025 5:03 am

yambo 5.1.1 failed with oneapi-2022.3

Post by chichenyulong » Tue Jul 01, 2025 10:43 am

Dear Yambo Developers,
I installed the Intel one API suite (lBaseKit_p_2022.3.0.8767_offline.sh and lHPCKit_p_2022.3.0.8751_offline.sh) on the CentOS 7 system (Intel(R) Xeon(R) CPU E5-2686 v4 ). I tried to compile yambo5.1.1 using the following command (Use root account),
./configure --enable-uspp --enable-memory-profile --enable-options-check --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_intelmpi_lp64" --with-scalapack-libs="-lmkl_scalapack_lp64" --with-fft-libs="-mkl" FCFLAGS="-O2 -limf -assume bscc -nofor_main"
make all
The final display shows the following error:
make[2]: *** [mod_pars.o] Error 1
mod_pars.f90(26): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NETCDF]
[driver] yambo (checking work to be done)
yambo linking failed. Check log/compile_yambo.log
mod_pars.f90(26): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NETCDF]
make[1]: *** [yambo] Error 1
yambo build failed

All external libraries have been manually downloaded and placed on yambo-5.1.1.lib/archive
(This folder contains blacs.tar.gz hdf5-1.12.0.tar.gz package.list
etsf_io-1.0.4.tar.gz iotk-y1.2.2.tar.gz petsc-3.14.6.tar.gz
fftqe.tar.gz lapack-3.9.1.tar.gz pnetcdf-1.12.1.tar.gz
fftw-3.3.6-pl1.tar.gz libxc-5.1.5.tar.gz scalapack-2.1.0.tar.gz
futile-yambo.tar.gz Makefile.loc slepc-3.14.2.tar.gz
git.list netcdf-c-4.7.4.tar.gz yaml-0.2.2.tar.gz
git.list.in netcdf-fortran-4.5.3.tar.gz Ydriver-1.1.0.tar.gz
)

Please see the attached log files.
Any suggestions or help will be greatly appreciated!!
Best wishes,
YuLong
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User avatar
Nicola Spallanzani
Posts: 97
Joined: Thu Nov 21, 2019 10:15 am

Re: yambo 5.1.1 failed with oneapi-2022.3

Post by Nicola Spallanzani » Tue Jul 01, 2025 3:28 pm

Dear YuLong,
please sign your posts with your name and affiliation, this is a rule of the forum, and you can do once for all by filling your user profile.

The error reported in the compile_yambo.log shows that there was a issue on the compilation of the netcdf libraries.
Please, send all the file .log that you have in the log directory.

Best,
Nicola
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu

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