[Wannier] A question regarding to restart mode....

[Han Hsu]

Hello Wannier90 developers and users,

 

Now I have a question about how the restart mode works in Wannier90.

 

Suppose I run wannier90.x by setting num_iter = 1000 in the *.win file.
Unluckily, after 1000 iterations have completed, a satisfactory convergent
result is not achieved. So I go back to the original *win file, reset
num_iter = 2000, and add a line restart=default. When I run wannier90.x with
the modified *win file, depending on the machine, either an error message
"Error in input file: value of restart not recognized" displays, or no more
iteration is computed, even no error message displays.

 

Setting restart=default only works in the following way, at least on my
machines. Suppose I set num_iter = 1000000, and within wall time limit, only
1000 iterations are completed. Then I add a line restart=default to the *win
file, and the calculation can continue as expected.

 

I am wondering if this happens to anyone else, or just to me? I already
started to suspect if I compiled everything correctly now...

 

Thank for any hints and responses.

 

Han

__________________________________________________

Han Hsu, Ph.D.

Postdoctoral Associate

Department of Chemical Engineering & Materials Science

University of Minnesota

http://www.cems.umn.edu/~hsuhan

__________________________________________________

 

 

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