[CP2K-user] [CP2K:19314] Re: GEMC works with FIST but not with QS

['sing...@umn.edu' via cp2k]

Hi,

By any chance, were you able to solve this issue? 
My simulations are also getting stuck at " Beginning the Monte Carlo 
calculation."

Thanks,
Ramanish

On Friday, January 15, 2016 at 4:50:04 PM UTC-6 lar... at lbl.gov wrote:

> Dear cp2k users,
>
> I have successfully run a simple GEMC simulation of water using the FIST 
> method to calculate the forces (input files attached). But, when I change 
> the &FORCE_EVAL section to use Quickstep, the simulation gets stuck early 
> on (without really outputting any error). The last line in the output file 
> reads "Beginning the Monte Carlo calculation." I am having the same issue 
> trying to run the GEMC example from the howto of the cp2k website (
> https://www.cp2k.org/howto:gemc). I have attached here the input and 
> output files from both simulations (with FIST and with QS). Any ideas on 
> why it is getting stuck would be tremendously helpful.
>
> Thanks,
> Luis
>

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