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Dear VASP admin,

Using vasp6.3.2 with VTST, we performed neb calculations.
The calculations are finished "with the required accuracy". However, after the calculations reached the required accuracy, an error "HDF5 call in vhdf5.F:110 produced error: 29" is written in the run output.

does this affect the accuracy of the calculations?

Thanks

Hello!

I had a closer look at the code to find out what might have caused the error. As far as I can see it seems that VASP tries to copy the KPOINTS file contents to the vaspout.h5 HDF5 output file. I believe that error 29 is equivalent for a "file not found" statement. Do you use a KPOINTS file and was it present at the runtime of the program?

Anyway, the call to the function that tries to copy the KPOINTS file is at the very end of the main VASP program. Hence, I believe that all other data should have already been written to disk at the time of failure and your calculation results are valid. It certainly should not affect the accuracy of the calculations. The only thing that could be incomplete is the HDF5 file, it may not have been gracefully closed.

All the best,
Andreas Singraber

Hello again!

I realized that this issue was found before, it seems to occur when the IMAGES tag is used. It was fixed as of VASP version 6.4.1, so if you upgrade to the latest version you should not see this error any more.

All the best,
Andreas Singraber

Yes, I use a KPOINTS file and it was present at the runtime of the program.

Thank you very much for the detailed response.