hdf5 call error during charged slab calculation
Posted: Fri Jul 19, 2024 12:19 pm
Hi,
I am optimising a charged system (by changing NELECT), and the system to be optimised contains hydrogen adsorbed Ni2P surface, H2O molecules, and an implicit solvent (VASPsol). For a particular calculation (files attached) with NELECT = 797.6, I encountered a bug as given below. I optimised the same system with the same input parameters but different NELECT values (lower and higher than 797.6) where the calculations converged.
Bug encountered:
Internal error in: vhdf5.F at line: 114
HDF5 call in vhdf5.F:114 produced error: 29
If you are not a developer, you should not encounter this problem.
Please submit a bug report.
I am not a developer, so I want to report this bug. I hope the above information and the attached files are sufficient to reproduce the issue.
Best,
Syam
I am optimising a charged system (by changing NELECT), and the system to be optimised contains hydrogen adsorbed Ni2P surface, H2O molecules, and an implicit solvent (VASPsol). For a particular calculation (files attached) with NELECT = 797.6, I encountered a bug as given below. I optimised the same system with the same input parameters but different NELECT values (lower and higher than 797.6) where the calculations converged.
Bug encountered:
Internal error in: vhdf5.F at line: 114
HDF5 call in vhdf5.F:114 produced error: 29
If you are not a developer, you should not encounter this problem.
Please submit a bug report.
I am not a developer, so I want to report this bug. I hope the above information and the attached files are sufficient to reproduce the issue.
Best,
Syam