There is a file configure.out in your build directory. Can you provide that?

Ok, that actually looks good. Can you also attach the out and out.xml files you obtain when running fleur and the output of

echo $LD_LIBRARY_PATH
 
 

The terminal output when running fleur would also be useful.

In the first lines of the out.xml file you see

 <compilationInfo date="2021-10-05T16:53:30" user="chemam" host="chemam-CH61-PCI3" flag="-mkl -qopenmp -assume byterecl -no-wrap-margin -r8 -qopenmp" link="-lmkl_scalapack_lp64;-lmkl_blacs_intelmpi_lp64;/usr/lib/x86_64-linux-gnu/libxml2.so"/>
 

In the configure.out file on the other hand you find the line

compile_date="2021-10-13T15:29:09"
 

The time stamps are not identical. This means that for the calculation you actually use a different executable. The compilation times differ by about 8 days.

Oh wait, what did you actually do to compile with HDF5? You certainly called the configure script with the respective options. But did you call the two commands

make clean
make
 
 

in your build directory afterwards? This is needed. Whenever you change something in the configuration or the code changes you also have to run make again.

Best, Gregor.