[QE-users] Error while running QE

Pietro Bonfa' pietro.bonfa at unipr.it
Mon Mar 15 13:43:39 CET 2021


Dear Chandan,

your problem is likely due to the massive over-subscription of your 
resources, as shown by the following line

On 3/15/21 12:55 PM, Chandan Kumar Choudhury wrote:
>       Parallel version (MPI & OpenMP), running on    2304 processor cores


I would start with pure MPI parallelism by prepending

export OMP_NUM_THREADS=1

in your job scripts.

Best,
Pietro


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