Compile Yambo 5.3

[KinawyM]

Dear Developers,

I have an issue with compiling Yambo 5.3. I have tried using intel compilers 2021 but it ended up with an error as

Error in opening the compiled module file. Check INCLUDE paths. [NETCDF]
\t[driver] yambo (setup)
yambo linking failed. Check log/compile_yambo.log
mod_pars.f90(10): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NETCDF]

Please find the config. file attached,

Best regards

[Nicola Spallanzani]

Dear Mohamed,
something may have gone wrong during the compilation of the NetCDF library.
Could you send the entire content of the log directory, along with the files config/report and config/setup?

Best regards,
Nicola

[KinawyM]

Dear Nicola,

Please find attached the requested directory and the config file.

All the best,

[Nicola Spallanzani]

Dear Mohamed,
the only wrong thing I can see is that you are setting MPIF77=ifort instead of MPIF77=mpiifort.
But this doesn't explain the error in the NetCDF library configuration. Could you send me the config.log file located inside this folder?
/mnt/lustre/users/melkinawy/Codes/yambo-5.3.0/lib/netcdf/netcdf-c-4.9.0

Best,
Nicola

[KinawyM]

Dear Nicola,

I will fix the configuration step and give it another try.
For the requested file, please find it attached.

Thanks,

[KinawyM]

Dear Nicola,

As you expected, setting of MPIF77=mpiifort didn't solve the problem.
I assumed something is wrong with Intel API installation and tried compiling Yambo 5.3 using "OpenMPI/4.1.6-GCC-13.2.0" which calls the following modules
1) GCCcore/13.2.0 9) hwloc/2.9.2-GCCcore-13.2.0
2) zlib/1.2.13-GCCcore-13.2.0 10) OpenSSL/1.1
3) binutils/2.40-GCCcore-13.2.0 11) libevent/2.1.12-GCCcore-13.2.0
4) GCC/13.2.0 12) UCX/1.15.0-GCCcore-13.2.0
5) numactl/2.0.16-GCCcore-13.2.0 13) libfabric/1.19.0-GCCcore-13.2.0
6) XZ/5.4.4-GCCcore-13.2.0 14) PMIx/4.2.6-GCCcore-13.2.0
7) libxml2/2.11.5-GCCcore-13.2.0 15) UCC/1.2.0-GCCcore-13.2.0
8) libpciaccess/0.17-GCCcore-13.2.0 16) OpenMPI/4.1.6-GCC-13.2.0

The compilation failed too. Please find attached the log folder and config file attached.

Thanks for your help,

[Nicola Spallanzani]

Dear Mohamed,
the problem of the compilation with intel compiler is not related to netcdf as I supposed, but about hdf5. In this directory
/mnt/lustre/users/melkinawy/Codes/yambo-5.3.0/lib/external/intel/mpiifort/v4/parallel
there are the hdf5 libraries?

If not, please delete the directory of your installation and start from scratch in another directory.

Best,
Nicola

[Nicola Spallanzani]

Dear Nicola,

As you expected, setting of MPIF77=mpiifort didn't solve the problem.
I assumed something is wrong with Intel API installation and tried compiling Yambo 5.3 using "OpenMPI/4.1.6-GCC-13.2.0" which calls the following modules
1) GCCcore/13.2.0 9) hwloc/2.9.2-GCCcore-13.2.0
2) zlib/1.2.13-GCCcore-13.2.0 10) OpenSSL/1.1
3) binutils/2.40-GCCcore-13.2.0 11) libevent/2.1.12-GCCcore-13.2.0
4) GCC/13.2.0 12) UCX/1.15.0-GCCcore-13.2.0
5) numactl/2.0.16-GCCcore-13.2.0 13) libfabric/1.19.0-GCCcore-13.2.0
6) XZ/5.4.4-GCCcore-13.2.0 14) PMIx/4.2.6-GCCcore-13.2.0
7) libxml2/2.11.5-GCCcore-13.2.0 15) UCC/1.2.0-GCCcore-13.2.0
8) libpciaccess/0.17-GCCcore-13.2.0 16) OpenMPI/4.1.6-GCC-13.2.0

The compilation failed too. Please find attached the log folder and config file attached.

Thanks for your help,

Dear Mohamed,
The problem here is that the LAPACK libraries were not compiled because they require CMake. The CMake module is certainly available in your module environment, search for it and load it before starting the installation.

Before attempting a new installation, please run the "make distclean" command or, even better, delete the Yambo directory and start from scratch in a new one.

Best,
Nicola

[KinawyM]

[/quote]


Dear Mohamed,
The problem here is that the LAPACK libraries were not compiled because they require CMake. The CMake module is certainly available in your module environment, search for it and load it before starting the installation.

Before attempting a new installation, please run the "make distclean" command or, even better, delete the Yambo directory and start from scratch in a new one.

Best,
Nicola
[/quote]

Dear Nicola,

Thanks again for your time and support. I followed your instructions and loaded CMAKE but again the compilation failed with the following error

make[1]: *** [/cluster/users/shams026u1/data/yambo/Openmpi/yambo-5.3.0/config/mk/local/rules.mk:15: mod_gpu.o] Error 1
Fatal Error: Cannot open module file ‘devxlib_environment.mod’ for reading at (1): No such file or directory
\t[driver] yambo (setup)
yambo linking failed. Check log/compile_yambo.log
Fatal Error: Cannot open module file ‘devxlib_environment.mod’ for reading at (1): No such file or directory
make: *** [config/mk/global/actions/compile_yambo.mk:43: yambo] Error 1

Please find attached the config file

Best,

[Nicola Spallanzani]

Dear Mohamed,
sorry, I need again the new content of the "log" directory.

Best,
Nicola