Can more than 9999 MD steps be supported in writing XDATCAR?

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


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wdv
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Can more than 9999 MD steps be supported in writing XDATCAR?

#1 Post by wdv » Thu Jan 05, 2006 10:05 pm

In XDATCAR, OSZICAR and OUTCAR, only MD steps less than 9999 can be printed correctly. Above 10000, **** is printed.
Last edited by wdv on Thu Jan 05, 2006 10:05 pm, edited 1 time in total.
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konglt

Can more than 9999 MD steps be supported in writing XDATCAR?

#2 Post by konglt » Fri Jan 06, 2006 1:45 pm

I guess you can change the output format of "I4" into "I5" to achieve this.
Last edited by konglt on Fri Jan 06, 2006 1:45 pm, edited 1 time in total.
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wdv
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Can more than 9999 MD steps be supported in writing XDATCAR?

#3 Post by wdv » Fri Jan 06, 2006 7:34 pm

Yes, you're right.
I was hoping that changed in the next standard release.
Last edited by wdv on Fri Jan 06, 2006 7:34 pm, edited 1 time in total.
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