Question: Your task is to improve the performance of a parallel application by using more compute resources. The application supplied to you is a molecular dynamics
Your task is to improve the performance of a parallel application by using more compute resources. The application supplied to you is a molecular dynamics simulation package (NAMD). The package is installed on Neches as a module. In the intro2scheduler/SLURM directory, find the SLURM job script to submit jobs to SLURM (fix potential problems in the script if you come across any). Using the sbatch command and job scripts, you need to benchmark the scalability of the software by comparing the simulation time of the same job run on the following resources. JOB RESOURCE NO OF MPI PROCESS 1 1 NODE 1 2 1 NODE 2 3 1 NODE 4 4 1 NODE 8 5 2 NODE 16 6 4 NODE 32 7 8 NODE 64 Make sure you edit the script(s) so that The output files should have a name that is indicative of the job that produced them. Job names should be different and convenient for you to check the job status Your own email address is provided to receive notifications. Upload the batch job script(s) that you used along with output files (there should be 7x2 =14 output files in total) from all runs. Dont forget the discussion of the results.
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