[CP2K-user] [CP2K:18804] Re: Bad condition number R_COND

[centre....@gmail.com]

I change the mixing method  PULAY_MIXING to  DIRECT_P_MIXING.
ITS RUNNING. i RECEIVED THE ERROR FOR THE PULAY_MIXING.
NOT SURE ITS COMPLIATION ISSUE OR METHOD?

On Wednesday, May 10, 2023 at 10:07:48 AM UTC-4 Matt Watkins wrote:

> Hello,
> if the input previous ran successfully it sounds like a problem with the 
> compilation.
> Matt
>
> On Tuesday, 9 May 2023 at 15:17:30 UTC+1 Nilesh Dhumal wrote:
>
>> Hello User, 
>> I installed the latest version of cp2k (2323.1) on our cluster.  
>> I am getting the Bad condition number R_COND error for my every input 
>> file. We have 8.2 version installed on the cluster. The simulation finished 
>> successfully using the older version (8.2) of cp2k. 
>> Attached is input and output file. 
>> Is the issue in input file or compilation ? 
>>
>> Thanks, 
>> Nilesh 
>>
>

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