grap.sopt with more than 4 colvars

Luca lcb... at gmail.com
Sat Oct 28 18:35:19 UTC 2017


Hi,
I used 6 colvars, so in the restart file I have:
  &SPAWNED_HILLS_POS
             5.6525595948226375E+00    1.8371616325914497E+00    
1.3194344126150239E+00    1.8303478934479642E+00 \
             3.2335818437614024E-02    2.9943228677415989E+00
             5.7542781185905749E+00    1.9495264366496716E+00    
3.0375176289856589E+00    1.9637785163744368E+00 \
             4.0913931134830039E-01    2.0829166873928675E+00
            [..]
and so on.

 CP2K version 4.1
 svn:17462

to reconstruct the fes.dat 

graph.sopt output:
[..]
FES|  Parsing file:   <run-MD-1.restart.bak-2>
At line 471 of file /home/luca/cp2k/cp2k/src/metadyn_tools/graph.F (unit = 
1, file = 'run-MD-1.restart.bak-2')
Fortran runtime error: Bad real number in item 5 of list input

The program seems to be able to read only the first 4 variables and crash 
at item 5 in reading "\"



L

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