Bug with B3LYP with VWN3 optimiztion
Posted: Fri Mar 29, 2024 5:05 am
Hi Developers,
While optimizing a crystal structure with B3LYP, the following bug is printed in the output:
Any reason?
Thanks!
While optimizing a crystal structure with B3LYP, the following bug is printed in the output:
Code: Select all
-----------------------------------------------------------------------------
| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| internal error in: nonlr.F at line: 969 |
| |
| RSPHER: internal ERROR: 4176 -105 65535 0 |
| |
| If you are not a developer, you should not encounter this problem. |
| Please submit a bug report. |
| |
-----------------------------------------------------------------------------
[hm076:44143:0:44143] Caught signal 11 (Segmentation fault: address not mapped to object at address 0xffffffff956e7b90)Thanks!