search

rouyang2017 / SISSO

A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
Apache License 2.0
251 stars 84 forks source link

Error while reading file "train.dat" #51

Closed danielpert closed 1 year ago

danielpert commented 1 year ago

I am trying to run SISSO but the only output I got is this error message:

Error while reading file "train.dat" !!!

The contents of SISSO.out are as follows:

****************************************************************
  Sure Independence Screening and Sparsifying Operator (SISSO)
             Version SISSO.3.2, September, 2022.
****************************************************************

Read in data from train.dat.

It does not specify what the error while reading 'train.dat' actually is so I am pretty lost. I double checked and my train.dat has the correct number of rows and columns based on SISSO.in, and the names of the rows have no spaces or mathematical operators.

rouyang2017 commented 1 year ago

Hi, I can give a try if could send me the train.dat.

danielpert commented 1 year ago

Yes I have emailed it to you

rouyang2017 commented 1 year ago

I see the problem. The comma, space, and Tab in train.dat are treated as separators in the code, and you have commas in the strings of your molecule names which is not allowed. It works if I remove the comma in the molecule name strings.

danielpert commented 1 year ago

oh wow thanks! For the future it would be helpful if it gave a more specific error message when something like this happens so users can easily figure out what the problem is

rouyang2017 commented 1 year ago

Yes, thanks. Will do this.