Hi
We recently compiled VASP with HDF5 for the first time (v 6.5.0). But p4vasp cannot read our vaspout.h5 file produced, while it can read the hdf5 file from a different HPC system. We are using Ubuntu 24.04. Our IT is most familiar with Intel OneAPI so we would ideally like to stay in that eco-system. Do you have any guidance for how to compile HDF5 so that it is compatible with VASP and p4vasp?
Thanks much
Kirk
For the makefile.include options for HDF5 support see [urlhttps://www.vasp.at/wiki/index.php/Makefile.inc ... _features)]here[/url].
Please also check the validity of your produced HDF5 files with command line tools that ship with the HDF5 installation. For explanations see here:
wiki/index.php/Category:HDF5_support
PS: p4vasp was the old visualizer tool, which is not supported anymore. But I guess you meant py4vasp which is the new one.
Hi
Thank you so much....yes indeed, I did mean py4vasp not p4vasp...was an old user you can tell. :-)
We will consult these documents.
Thank you!
Kirk