how to boost the MD simulation?

[Phil G.]

Dear all,

in order to determine the infrared (IR) and raman spectrum of interfacial 
water at LiNbO3, MD simulation was run using CP2K (module version 3.0, 
because 5.1 does not run due to possible bug with intel) with calculation 
of wannier centers (wannierout.xyz). I set the calculation for 4 days and 
after this time I got output files which contain results of only 3 steps. 
Why the calculation took so long for only 3 steps? Is there any mistake in 
the input file and how can I boost the MD simulation with wannier center 
calculation?

Kind regards,

Phil
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