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2:21 AM
Kilr^WSloshy the Thawman was here!
 
 
9 hours later…
11:14 AM
0
Q: MPI error in Quantum Espresso during optimization of particularly large molecules

AvranaI have been recently trying to optimize a particularly large system Mo2C in QE using the pw.x executable and encountering the following MPI errors: [compute-0-0:285011] *** An error occurred in MPI_Comm_free [compute-0-0:285011] *** reported by process [140734245568513,140642999074824] [compute-0...

 
 
3 hours later…
2:11 PM
0
Q: I didn't find the results of my calculations using an HPC for Quantum ESPRESSO?

CamillaI submitted 2 jobs for the first time in a HPC to test it. it's a very light scf calculation that takes almost 5 minutes or less in my desktop. But it's been almost 1 hour that I submitted the job in the HPC with a slurm using the command sbatch script.sl and I still didn't see an output from my...

 
 
6 hours later…
7:48 PM
posted on May 30, 2023

2023/05/30 -- سيدمحمد صندوقچي via users

 
8:39 PM
posted on May 30, 2023

2023/05/30 -- Satyasiban Dash ph19d005

 
 
1 hour later…
9:55 PM
 

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