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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