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jensengroup / molcalc

MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online
molcalc.org
MIT License
86 stars 20 forks source link

Again the website isn't working. #31

Closed goethepamuk closed 3 years ago

goethepamuk commented 3 years ago

Hello, I wrote yesterday that the website wasn't working and you fixed it. I think it is broken again can fix it? Thank you.

charnley commented 3 years ago

It seems like someone is using molcalc as a submit system for some research with Br. Flooding the server with calculations. Is this you?

goethepamuk commented 3 years ago

No, I'm sumbitting molecules with Hcl, hclo...

charnley commented 3 years ago

@goethepamuk Thanks, those should not be a problem for the system to handle. :) I will try to find a fix to avoid having the system stalled. Unfortunately, I cannot promise that molcalc won't go down again if the person who is submitting large Br clusters keeps it on. Please ping me in this thread when molcalc is stalling, and I'll restart it until I've made a fix. Sorry for the inconvenience you are having.

Someone is requesting several molecules with 5+ Bromine per minute.

goethepamuk commented 3 years ago

Ok thanks a lot. Also, I had a very quick question. I'am Trying to look for the HClO2 and I write it into the search bar but it is stuck in saying "Converting O[Cl]=O". Do you know why this happens?

charnley commented 3 years ago

The search bar is using cactus https://cactus.nci.nih.gov/chemical/structure to convert the molecule. It could be your internet connection to that service. Try to refresh the website. Or draw the molecule yourself : )

goethepamuk commented 3 years ago

Okay, thanks a lot :). And one last thing, I do this for research but I'am confused in one point. What is solvation energy. I looked at the internet but I couldn't find an exact answer. Do you have an link or an book suggestion to explain it?

charnley commented 3 years ago

You'll need to read some books on Physical Chemistry, Computational Chemistry and Quantum Chemistry. Would be fitting to advertise Molecular Modeling Basic by Jan Jensen

charnley commented 3 years ago

changelog: Implemented timeout fix for multiprocessing and added error handling to avoid stalling the processes