Thnx a ton fr d reply..i tried reading it..simply shud i change PAO.SplitNorm= 0.016412????
Sent from Samsung Mobile <div>-------- Original message --------</div><div>From: Nick Papior Andersen <[email protected]> </div><div>Date:21/01/2015 18:29 (GMT+05:30) </div><div>To: [email protected] </div><div>Subject: Re: [SIESTA-L] please help See manual for new split options ERROR STOP from Node: 0 </div><div> </div> 2015-01-21 12:48 GMT+00:00 Gagandeep kaur <[email protected]>: Dear SIESTA users i am doing calculations on clusters adsorbed on 32 atom graphene sheet..fdf file is attached herewith..i encounter with following problem..kindly send me the solution.. Gagandeep Kaur Research Scholar Panjab University Chandigarh India We have tried to run command "mpirun -np 4 siesta < C32T.fdf" with 1, 2 and 4 number of processes. With each run the below mentioned error came: ############################################################## WARNING: Minimum split_norm parameter: 0.16412. Will not be able to generate orbital with split_norm = 0.15000 See manual for new split options ERROR STOP from Node: 0 This error message is quite specific, the split norm parameter is set to 0.15, however, siesta calculates that the minimum required split norm parameter needs to be (at least) 0.16412. Hence you should search in the manual on how to change the split norm parameter. The line: "See manual for new split options" is pretty exact in this case :) Enjoy the read. -- Kind regards Nick
