[CP2K-user] About compiling "psmp" file

wabeck wabeck kamak... at gmail.com
Tue Jun 30 11:12:11 UTC 2020


Hi. I am a newbie. So I am not familiar with Linux and cp2k.

Now, I try to compile cp2k but there is an error.

It went well about VERSION="sopt ssmp popt"
But an error occurred only about VERSION="psmp",

an error said that

/cp2k-7.1/src/input_cp2k_pwdft.F:157:60:

  153 |       DO i = 0, length - 1
         |                                   2
......
  157 |          CALL sirius_option_get_name_and_type(section_name, i, 
name, ctype)
         |                                                                  
                                  1
Error: Variable ‘i’ at (1) set to undefined value inside loop  beginning at 
(2) as INTENT(OUT) argument to subroutine ‘sirius_option_get_name_and_type’


Although I checked the file "input_cp2k_pwdft.F", I don't know the cause 
and the solution of the error.
To compile psmp file, what should I do?



ps. what are the differences those extensions?
How can I use them properly?
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