When processing proton Spectrum, I found out this process consumed a lot of memory up to 130GB but the programme have been runing for 4h yet still running. There's something wrong because processing carbon spectrum completed in a few seconds. I tested with two different Bruker NMR raw data files yet I was stuck in this process.
Also, there are many PID ,for example,python3 PyDP4.py candidate.sdf NMR_data but only one of them is runming while others seem suppended.
In my computer (Ubuntun 22.04), g16, tinker and all the python packages work well. The DP5 package was fetched using git clone
When processing proton Spectrum, I found out this process consumed a lot of memory up to 130GB but the programme have been runing for 4h yet still running. There's something wrong because processing carbon spectrum completed in a few seconds. I tested with two different Bruker NMR raw data files yet I was stuck in this process. Also, there are many PID ,for example,
python3 PyDP4.py candidate.sdf NMR_databut only one of them is runming while others seem suppended. In my computer (Ubuntun 22.04), g16, tinker and all the python packages work well. The DP5 package was fetched usinggit clone