Dear developers,
When performing a VASP calculation on a relatively large system (approximately 200 atoms and 1,500 electrons), the convergence calculations were completed successfully, and the WAVECAR and CHGCAR files were also written successfully. However, the calculation automatically terminates with an error when writing the PROCAR file. I checked the log, which is shown below. Could you please help me understand what happened? It seems like it might be a bug? How to fix it?
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| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| internal error in: mpi.F at line: 1825 |
| |
| M_sumb_d: invalid vector size n -1350075136 |
| |
| If you are not a developer, you should not encounter this problem. |
| Please submit a bug report. |
| |
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Best Regards,
Jianguo Si