Error in vaspout.h5

[Sherif_Yehia1]

Thank you very much for your generous offer to examine my Hdf5 run error

I would like to pay your attention that I replace

export CFLAGS='-O3 -xHost -ip'
export CXXFLAGS='-O3 -xHost -ip'
export FCFLAGS='-O3 -xHost -ip'
with
export CFLAGS='-march=core-avx2'
export CXXFLAGS='-march=core-avx2'
export FCFLAGS='-march=core-avx2'
Please see attached is the HDF5 run
Thank you

[martin.schlipf]

It seems something goes wrong with setting up the LD_LIBRARY_PATH. Here is a post to a similar issue on stackoverflow. In principle, the setvars.h script should set the LD_LIBRARY_PATH so please make sure that is actually the case. I hope that this resolves the issue with the HDF5 library.

Afterwards I suggest that you try to compile one of the dummy examples e.g. this one. You could also try to do this with one of the other HDF5 installations that you tried. If none of them is able to compile this example successfully, you will not be able to compile VASP with the HDF5 installation either.

Once you have managed to compile and execute the example, I can then help you to translate this to a compilation of VASP. Reducing this to a simpler example should also help you to get support from the HDF5 community because they can reproduce the problem easier with one of their examples instead of having to compile VASP (which they may not have licensed).