Noncolinear compilation of vasp

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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vasp16888
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Noncolinear compilation of vasp

#1 Post by vasp16888 » Mon Jul 26, 2010 9:36 am

Dear vasp master:
I am running vasp 4.6.35, all colinear calculation are ok. But I wanna do noncollinear calculation, when I submit the job, some errors happens:
========================
running on 12 nodes
distr: one band on 12 nodes, 1 groups
vasp.4.6.35 3Apr08 complex
POSCAR found : 2 types and 128 ions
ERROR: non collinear calculations require that VASP is compiled
without the flag -DNGXhalf and -DNGZhalf
ERROR: non collinear calculations require that VASP is compiled
without the flag -DNGXhalf and -DNGZhalf

=================
I think these two flags DNGXhalf and DNGZhalf are very important for vasp, please tell me how can I successfully compile the noncolinear vasp ?
Thanks a lot:)
Last edited by vasp16888 on Mon Jul 26, 2010 9:36 am, edited 1 time in total.
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forsdan
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Noncolinear compilation of vasp

#2 Post by forsdan » Mon Jul 26, 2010 12:06 pm

You should do as it says and compile VASP without DNGXhalf and DNGZhalf. Then you will get a successfully compiled binary able to run noncollinear calculations.

Cheers,
/Dan
<span class='smallblacktext'>[ Edited Mon Jul 26 2010, 02:16PM ]</span>
Last edited by forsdan on Mon Jul 26, 2010 12:06 pm, edited 1 time in total.

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