Dear Abinit users
I faced with the following error during optimization of geometry:
--- !BUG
src_file: sphereboundary.F90
src_line: 249
mpi_rank: 0
message: |
iloop,igb,mgb= 2 275 274
about to overwrite gbound.
I searched for this error in the abinit forum and found only the following discussion:
viewtopic.php?f=11&t=2578
However the mentioned discussion didn't help me. I'm using version 8.0.8 of abinit. My input file is in attachment. Please guide me what can I do for this problem?
Thanks for your attention.
sphereboundary.f90 error [SOLVED]
Moderator: bguster
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amirnasser
- Posts: 2
- Joined: Fri Dec 09, 2016 8:34 pm
sphereboundary.f90 error
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run1.in- (1.5 KiB) Downloaded 288 times
Re: sphereboundary.f90 error [SOLVED]
Dear amirnasser,
Why did you set dilatmx (to a quite large value!) and ecutsm if you are not relaxing the cell (optcell=0)?
Switch off dilatmx and ecutsm and let us know if you still have the problem.
Best wishes,
Eric
Why did you set dilatmx (to a quite large value!) and ecutsm if you are not relaxing the cell (optcell=0)?
Switch off dilatmx and ecutsm and let us know if you still have the problem.
Best wishes,
Eric
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amirnasser
- Posts: 2
- Joined: Fri Dec 09, 2016 8:34 pm
Re: sphereboundary.f90 error
Many Thanks Eric
The problem was solved.
Thanks for your help
The problem was solved.
Thanks for your help