Search found 3 matches

by Manuel Martínez-Jiménez
Thu Jan 18, 2018 3:34 pm
Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
Topic: Some trouble with examples
Replies: 4
Views: 490

Re: Some trouble with examples

Update! I found the real problem: Mi bashrc file was exporting an additional /lib folder of another Python version. I just avoided it and the FB is finally running very well for the examples. Thank you again.
by Manuel Martínez-Jiménez
Thu Jan 18, 2018 12:33 pm
Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
Topic: Some trouble with examples
Replies: 4
Views: 490

Re: Some trouble with examples

Thank you very much for your answer, Lee-Ping, I appreciate you take some tome for my question. As you told me, I checked rungmx.sh and I found necessary to add appropriate $PYTHONPATH so that FB modules can be called. I reinstalled FB and ran it again, and the error disappeared. But now I got a new...
by Manuel Martínez-Jiménez
Tue Jan 16, 2018 4:38 pm
Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
Topic: Some trouble with examples
Replies: 4
Views: 490

Some trouble with examples

Hi everybody I am a newbie FB user. I just installed it and try to run the included examples. For water tutorial ones everything is fine, but when I sent liquid bromine optimization I got an error messagge: #========================================================# #| Main Optimizer |# #| Newton-Rap...