It seems that I run into several limitations of the vector sizes defined.
I have also tried with another model that has less atoms. This time i reach the DFT section at least. But it stops during with
(a bit scrambled)
------------------------------------------------------------------------
------------------------------------------------------------------------
texas: txs_error called 0
integer overflow,needed 443964 available 190000
texas: txs_error called 0
texas: txs_error called 0
integer overflow,needed 443964 available 190000
------------------------------------------------------------------------
integer overflow,needed 443964 available 190000
integer overflow,needed 443964 available 190000
integer overflow,needed 443964 available 190000
integer overflow,needed 443964 available 190000
------------------------------------------------------------------------
texas: txs_error called
integer overflow,needed 443964 available 190000
texas: txs_error called 0
integer overflow,needed 443964 available 190000
is there anyone that could detail me the neccessary changes before compilation in order to handle a 10ik atoms simulation in terms of the bounds for the vectors ?
Best
Alex
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