Memory Error


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Just Got Here
2:32:58 AM PDT - Fri, Aug 2nd 2019
Yes, no problem,
AO basis - number of functions: 9955
                    number of shells:  5339
Yes, I'm using a single process.
Please find attached here the luncher:

  1. !/bin/bash
  2. SBATCH --ntasks=48
  3. SBATCH --time=12:00:00
  4. SBATCH --cpus-per-task=1
  5. SBATCH --output=slurm%J.out
  6. SBATCH --error=slurm%J.err
module load nwchem
  1. module load fabric
time mpirun nwchem input.nw

Thanks.