Dear Vasp users and developers,,
I am trying to calculate the spin-orbit calculations. When i submitted the spin-orbit calculation it is giving error like
ERROR: non collinear calculations require that VASP is compiled
without the flag -DNGXhalf and -DNGZhalf.
I checked previous mails regarding this i found that
"Please re-compile VASP without these precompiler-options (-DNGZhalf, or -DNGXhalf)" Then i recompiled without -DNGZhalf, or -DNGXhal.
earlier compilation is with
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf \
# -DRPROMU_DGEMV -DRACCMU_DGEM
after that i removed -DNGXhalf and compiles
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DG
it compiled without any error, and the calculation is running fine. Is this the way that i am following is correct.
ERROR: non collinear calculations
Moderators: Global Moderator, Moderator
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shwetha
ERROR: non collinear calculations
Last edited by shwetha on Tue Oct 15, 2013 8:15 am, edited 1 time in total.
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support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: ERROR: non collinear calculations
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP