HDF5 related bug in MLFF tutorial in 6.4.3
Posted: Wed Jun 26, 2024 8:51 am
I was running the tutorial on machine learning from the Wiki and ran into what appears to be a HDF5 bug. The code is from the latest version (as of this writing) of Vasp 6.4.3 and was the CPU version of the code. I ran the same input files using the GPU version of 6.4.3 and the code ran without error.
I have attached the input and output files below.
I have attached the input and output files below.
10000 T= 425. E= -.86561722E+02 F= -.87605981E+02 E0= -.87605981E+02 EK= 0.10443E+01 SP= 0.00E+00 SK= 0.00E+00
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| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| 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. |
| |
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| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| 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. |
| |
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