News:

SMF - Just Installed!

Main Menu
Menu

Show posts

This section allows you to view all posts made by this member. Note that you can only see posts made in areas you currently have access to.

Show posts Menu

Messages - monuplamoodu@yahoo.com

#1
Input files and parameters / Re: SLURM Script help...???
September 11, 2020, 08:43:41 PM
We fixed the issue...
It was a path related error regarding "bin/simulate" file where the "bin/simulate" directory and the "lib" folder should be in a simulation folder. Sometimes the simulation folder may not be present in the RASPA2 directory, instead bin and lib folder be present. 

-Monu
#2
Input files and parameters / SLURM Script help...???
September 08, 2020, 06:30:25 PM
Hi Everyone

I am new to RASPA and recently we have installed the same at our internal cluster and I am trying to run a test calculation with the following SLURM script but I keep getting an error that is "Permission Denied". The below script is basically from the RASPA manual but I was wondering what's wrong with this script. It would be highly appreciated if someone can help me out here!
Thanks in advance...

#!/bin/bash
#SBATCH -J Name
#SBATCH -p highmem
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=1
#SBATCH --cpus-per-task=1
#SBATCH --export=ALL

module load RASPA2/May-2020

valhost=$SLURM_JOB_NODELIST
export RASPA_DIR=${HOME}/RASPA/
$RASPA_DIR/monu.input


-Monu

Monu Joy
Graduate Student & Teaching Assistant
Functional Materials Design & X-ray Diffraction Lab (Office: CAMP 328)
Department of Chemistry & Biomolecular Science, Box 5814
Clarkson University, Potsdam, NY 13699, USA

E-mail: joym@clarkson.edu | Mob: +1 (315) 323-4313