Starting multiple IJC in the same computer

 

Dear all,

I have perhaps a simple question.

Is it possible and if yes how to run multiple IJC on the same hardware?

I would like to see what is the substructure overlap between 3.5 million and 65 000 compounds. I have a small tower that has enough memory and processing power to run multiple IJCs. this would also increase significantly the time needed for such overlap calculations.

I am currently running web version IJC 15.10.12.0 on Ubuntu 14.04 and the same version on Mac.

I am posting this question because no matter what I do always shows the already opened GUI window. 

I tried to started form different terminals, I also tried to copy the program files in different location and started from there .... nothing worked. I wander if this is made so deliberately or it is a side effect and if it can be overrun?  

Thank you in advance for your answer!

 

Best

Tsonko

Dear Tsonko,

it is not possible to run multiple instances of Instant JChem on the same system in parallel. However, for your usecase that you describe, I believe Overlap analysis should do the trick. See the documentation here.

Wishing all the best

David

Hi, 

there exists a way how to run two instances of IJC on the same system in parallel. You need to specify user dir for the second instance from commandline:

bin/instantjchem  --userdir <path_to_second_user_dir>

Petr

Hi Petr,

That is a great news. I tested and it works nicely as you state it. 

It would be kind of waste of resources to put a single process on a server and expect results in a mount when I can get them in a couple of days :).

Thank you again for the fast answer!

Best

Tsonko