COMBINE_COLVAR/FUNCTION too long, how to increase default_string_length?
taosun... at gmail.com
Mon Jan 30 05:20:58 CET 2017
I am trying to define a collective variable for proton transport in CP2K,
the corresponding definition is:
where f_sw is a switch function
As the equations shown, there are many terms in the expression. Then I set
up the system including a single file water chain with 7 water molecules (7
oxygen atoms and 14 hydrogen atoms and 1 additional proton). I defined the
collective variable in CP2K as the equations shown, and get a very long
expression. When executing CP2K, it says:
*** WARNING in input/input_val_types.F:431 :: val_get will truncate
*** value, value beginning with
*** 22+0-2*CV1' is too long for variable
I checked the code and find that there is a variable
"default_string_length" in the file /src/input/input_val_types.F. I guess I
could change this variable to a larger value to include my expression
correctly. Then how could I increase the value of "default_string_length"?
I did not find any place that this variable is defined.
Thanks in advance !
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