[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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