TD-DFT restart

[Victor Volkov]

1.

TDDFT got frozen

2.

there is a file

name-RESTART.wfn

3.

the manual instructions are not about anything

but there are some chat records...

cp3k graffiti on the walls of pompeii

accordingly

under   &SUBSYS

I added

&EXT_RESTART
RESTART_FILE_NAME name-RESTART.wfn
&END EXT_RESTART

and saved the input as

restart.inp

4.

Since there is a blank-knowledge how to command

I made a typical cp2k fantazy line

./cp2k.sopt -i restart.inp -o restart.out

to receive

 EXT_RESTART
   subsection RNG_INIT in section %__ROOT__%FORCE_EVAL%SUBSYS score:  101
   subsection COLVAR in section %__ROOT__%FORCE_EVAL%SUBSYS score:  101
   subsection CORE_COORD in section %__ROOT__%FORCE_EVAL%SUBSYS score:  101
   subsection PRINT in section %__ROOT__%FORCE_EVAL%SUBSYS score:  101
   keyword SEED in section %__ROOT__%FORCE_EVAL%SUBSYS score:  100
 *******************************************************************************
 *   ___                                                                       *
 *  /   \                                                                      *
 * [ABORT]                                                                     *
 *  \___/            unknown subsection EXT_RESTART of section SUBSYS          *

************************

ha-ha-ha

I am not surprized - RedHat 1997 is back

:-)

Does not matter - better to start from scratch

However,

for the sake of the civillization

(for those who will walk our bones over)

may be there could be a helpful comment

on this matter?

Victor