internal ERROR SETYLM: -9, 14, 50, 5, -10, 2*13 internal ERROR SETYLM

Problems running VASP: crashes, internal errors, "wrong" results.


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sridevi
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internal ERROR SETYLM: -9, 14, 50, 5, -10, 2*13 internal ERROR SETYLM

#1 Post by sridevi » Tue Sep 05, 2006 6:56 pm

I a using VASP 4.6.
I got the following error and could not find it in any previous posts.

internal ERROR SETYLM: -9, 14, 50, 5, -10, 2*13
internal ERROR SETYLM: -8, 14, 50, 6, -9, 2*13
internal ERROR SETYLM: -7, 14, 38, 7, -8, 2*13
internal ERROR SETYLM: -6, 14, 38, 8, -7, 2*13

My INCAR was
System = fcc Si
ENMAX = 240
PREC = Low
IALGO = 48
NSW = 100
POTIM = 100

Any help would be appreciated.
Last edited by sridevi on Tue Sep 05, 2006 6:56 pm, edited 1 time in total.

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internal ERROR SETYLM: -9, 14, 50, 5, -10, 2*13 internal ERROR SETYLM

#2 Post by admin » Wed Sep 06, 2006 8:36 am

1) please have a look at the meaning of the POTIM tag, your choices do not seem reasonable to me.
2) the error is due to an error in the distribution of the FFT grids when running parallel. please check if
--) you chose the correct precompiler-settings for the MPI version
--) you did not mix up parallel/serial compilation
Last edited by admin on Wed Sep 06, 2006 8:36 am, edited 1 time in total.

sridevi
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internal ERROR SETYLM: -9, 14, 50, 5, -10, 2*13 internal ERROR SETYLM

#3 Post by sridevi » Mon Sep 11, 2006 8:38 pm

Thanks for your comment on POTIM, I was thinking of POTIM as the time of my simulation, not as the time 'step'.

I have another problem. When i try to run with POTIM = 1; and the same INCAR as above, I get the following error "ERROR WAVPRE_NOIO: Call to routine ZHEEV failed!"

Please advice.
Last edited by sridevi on Mon Sep 11, 2006 8:38 pm, edited 1 time in total.

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