| 9:15:53 AM PDT - Fri, Aug 2nd 2019 |
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Sorry to contradict you, but the line
SBATCH --ntasks=48
would indicate that mpirun should spawn 48 processes. (Anyhow, you can check the actual number of processes by searching for the nproc string in the NWChem output)
Since your input results in 9955 basis functions, you need at least 756 mbytes of stack memory (9955*9955*8/1024/1024=756).
I would set it to 1400 mb to be on the safe side. If the program crashes early on with a memory error, you might try to reduce the number of tasks from 48 to 24
memory stack 1400 mb heap 100 mb global 1306 mb
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