diff --git a/PTL2/run_eukphylo.sh b/PTL2/run_eukphylo.sh index b63c485..fa39157 100644 --- a/PTL2/run_eukphylo.sh +++ b/PTL2/run_eukphylo.sh @@ -1,4 +1,4 @@ -## Last updated Jan 2025 by Auden Cote-L'Heureux +## Last updated Jan 2025 by Auden Cote-L'Heureux; modified Feb 2025 by Adri K. Grow ## This shell script is used for running EukPhylo part 2, and includes a general setup for use on an HPC that uses ## the Slurm workload manager. It also includes several example run commands, which correspond to examples explained in more detail in the @@ -6,7 +6,7 @@ ## These run commands can also be copied and run in the terminal / command line separately, without a shell script. -#!/bin/bash +#!/bin/bash ## DELETE all lines before this to run ## SLURM-SPECIFIC SETUP BELOW @@ -14,11 +14,16 @@ #SBATCH --output=Run_EukPhylo.%j.out # Stdout (%j expands to jobId) #SBATCH --nodes=1 #SBATCH --ntasks=10 ## On the Smith College HPC (Grid), we have to change this to be double the number of task/batches you want to launch -#SBATCH -c 24 # Number of Cores per Task +#SBATCH --mail-type=ALL +#SBATCH --mail-user=email@xxx.edu ##add your email address for job updates + +## UMass HPC (Unity) requirements below (DELETE section if not applicable): #SBATCH --mem=125G # Requested Memory -#SBATCH -q long # Partition. Only use this on certain HPCs (e.g., Unity at UMass). +#SBATCH -c 24 # Number of Cores per Task +#SBATCH -q long # Partition #SBATCH -t 336:00:00 # Job time limit +#Load required modules module purge #Cleans up any loaded modules module use /gridapps/modules/all #make sure module locations is loaded module load slurm @@ -30,20 +35,22 @@ module load RAxML module load IQ-TREE/2.1.2-gompi-2021b module load tqdm/4.64.1-GCCcore-12.2.0 module load Python/3.9.6-GCCcore-11.2.0 -export PATH=$PATH:/Path/To/Executable/Files +module load Guidance_mid #Smith College HPC specific -parent='/Your/Home/Folder/' # The folder where you are running EukPhylo (this should contain the Scripts and input data folders +#export PATH=$PATH:/Path/To/Executable/Files -## RUN COMMANDS BELOW +parent='/Your/Home/Folder/' # The folder where you are running EukPhylo (this should contain the Scripts and input data folders) + +## EXAMPLE RUN COMMANDS BELOW # A simple run of part 2, starting from ReadyToGo files and running through tree building -srun --exact -n 1 -D ${parent} python3 ${parent}Scripts/eukphylo.py --start raw --end trees --gf_list ${parent}listofOGs.txt --taxon_list ${parent}taxon_list.txt --data ${parent}Input_folder --output ${parent}Output_folder +srun --exact -n 1 -D ${parent} python3 ${parent}Scripts/eukphylo.py --start raw --end trees --gf_list ${parent}listofOGs.txt --taxon_list ${parent}taxon_list.txt --data ${parent}Input_folder --output ${parent}Output_folder > Output.out -# Another example run starting from ReadyToGo files and running through tree building, with the commonly used similarity filter cutoff, blacklist, and "sim_taxa_list" arguments (see Wiki) -srun --exact -n 1 -D ${parent} python3 ${parent}Scripts/eukphylo.py --start raw --end trees --gf_list ${parent}listofOGs.txt --taxon_list ${parent}taxon_list.txt --data ${parent}Input_folder --output ${parent}Output_folder --similarity_filter --blacklist ${parent}Blacklist.txt --sim_cutoff 0.99 --sim_taxa sim_taxa_list.txt +# Another example starting from ReadyToGo files and running through tree building, with the commonly used similarity filter cutoff, blacklist, and "sim_taxa_list" arguments (see Wiki) +srun --exact -n 1 -D ${parent} python3 ${parent}Scripts/eukphylo.py --start raw --end trees --gf_list ${parent}listofOGs.txt --taxon_list ${parent}taxon_list.txt --data ${parent}Input_folder --output ${parent}Output_folder --similarity_filter --blacklist ${parent}Blacklist.txt --sim_cutoff 0.99 --sim_taxa sim_taxa_list.txt > Output.out # An example of running just the concatenation step of part 2, starting from trees -srun --exact -n 1 -D ${parent} python eukphylo.py --start trees --concatenate --concat_target_taxa Sr_rh --data Output +srun --exact -n 1 -D ${parent} python3 ${parent}Scripts/eukphylo.py --start trees --concatenate --concat_target_taxa Sr_rh --data ${parent}Output > log.out # See the Wiki (https://github.com/Katzlab/EukPhylo/wiki/EukPhylo-Part-2:-MSAs,-trees,-and-contamination-loop) for more details!