QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ramkrishna on February 3, 2012, 20:07

Title: Computed residual error
Post by: ramkrishna on February 3, 2012, 20:07

Dear Sir,
         I have faced a warning massage as following.


################################################################################
# WARNING                                                                      #
#                                                                              #
# The computed multigrid residual is greater than the required accuracy.       #
#                                                                              #
# Computed residual :   3.66972e-11                                            #
# Required accuracy :   1.00000e-12                                            #
#                                                                              #
################################################################################


Will it affect on the calculation ? How can I remove this type of error?

Regards
Ramkrishna

Title: Re: Computed residual error
Post by: Nordland on February 3, 2012, 20:40

This error has no implication, and I think, it should be considered to removing it.

It simply means that the multigrid solver (for getting the electrostatic potential) was tried to converged to a error of 1e-12, but only archived 3.6e-11 before
it ran out of attempts.

When the error is on this scale it can be considered a debug message, and can safely be ignored.