Cannot write to filename." at command "msd msd.dat" #78
Description
Describe the bug
Error when running input file.
Error message:
Cannot write to filename." at command "msd msd.dat"
Error Code: -6
To Reproduce
Run the following commands on Circe:
module load apps/miniconda/4.7.12
source /apps/miniconda3/4.7.12/etc/profile.d/conda.sh
cd AMDAT/
conda activate amdat
./AMDAT -i testfiles/homopolymer_analysis.in
Expected behavior
I expect an output file to be produced without errors.
Screenshots
- Output from trying to run above code
system
Moleculecount definition: 0 50
Creating_molecules: 0 50
Re100%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%7%6%5%3%2%1%
WARNING: trajectory file contains more frames than were used.
Unwrapping trajectories.
Unwrapping coordinates... 100%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%6%4%2%
End of xyzprep 50
Trajectory data read successfully.
0 50
System created.
create_list all
Species 1
100%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%6%4%2%
Trajectory list all created with 1600 trajectories.
create_bin_list bins
Creating Binned Trajectory List
Boxifying system.
Finished boxifying.
Binned Trajectory list bins created.
traj_list_from_bin_list onebin bins 1 0 0
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msd msd.dat
Error! An error occured and AMDAT is not able to continue.
Error message: "Cannot write to filename." at command "msd msd.dat"
Error Code: -6
System Details
- Device - Lenovo Yoga i7
- OS - not sure
- Build - not sure
- AMDAT Version: 1.0.1
- conda version: 4.7.12
Additional context
Please let me know if I need to provide any additional information!