Issue with ibi_lammps tutorial

[kfjclement]

Running run.sh file in ibi_lammps tutorial folder failed with the following output:

For a more verbose log see: inverse.log
We are doing Method: ibi
Prepare (dir step_000)
Using initial guess from dist CG-CG.dist.tgt for CG-CG
######################################################
# WARNING using this simulator is still experimental #
# If you find a problem report it under:             #
# https://github.com/votca/csg                       #
######################################################
step 0 done
Doing iteration 1 (dir step_001)
Simulation with lammps
Make update for ibi
Calculating rdfs with csg_stat using 12 tasks
################################################################################################################################################################
#                                                                                                                                                              #
# ERROR:                                                                                                                                                       #
# critical: 'csg_stat --nt 12 --options /home/cfk2120/Desktop/lammps/ibi_lammps/settings.xml --top spce.data --trj traj.dump --begin 0 --first-frame 0' failed #
# For details see the logfile /home/cfk2120/Desktop/lammps/ibi_lammps/inverse.log                                                                              #
#                                                                                                                                                              #
################################################################################################################################################################

Running csg_stat --nt 12 --options /home/cfk2120/Desktop/lammps/ibi_lammps/settings.xml --top spce.data --trj traj.dump --begin 0 --first-frame 0 or just with --nt 1 gives the following error:

begin to calculate distribution functions
# of bonded interactions: 0
# of non-bonded interactions: 1
an error occurred:
input format not supported: spce.data

I installed Votca on ubuntu using:
apt-get install votca-csg

[junghans]

What version of votca is that?

[junghans]

Just run csg_call --version.

[junghans]

And what version of Ubuntu is this?

[kfjclement]

Votca version 1.4.1
Ubuntu 18.04

[junghans]

Ah, I got it. You are using a too new version of the tutorials, please use the matching v1.4.1 version of the tutorials: https://github.com/votca/csg-tutorials/releases/tag/v1.4.1

[kfjclement]

I tried running csg_stat in that tutorial and got the same error.

[junghans]

In that version, we use topol.xml instead of the data file: https://github.com/votca/csg-tutorials/blob/v1.4.1/spce/ibi_lammps/settings.xml#L36

[kfjclement]

It worked! Thank you!