fixed load and run requirements for colabfold_search

align.sh

 #!/bin/bash -ex
 #SBATCH -J align
-#SBATCH -t 10:00:00
-#SBATCH -c 128
-#SBATCH --mem=200G
+#SBATCH -t 24:00:00
+#SBATCH -c 32
+#SBATCH --mem=256G
 #SBATCH -o /g/arendt/npapadop/cluster/align.out
 #SBATCH -e /g/arendt/npapadop/cluster/align.err
 
+module load Anaconda3
+module load GCC
+module load bzip2
 module load CUDA
+source ~/.bash_profile
 conda activate /g/arendt/npapadop/repos/condas/maf
 
-MMSEQS="/g/arendt/npapadop/"
-QUERY="/g/arendt/data/spongilla_singlecell_dataset/spongilla_lacustris_Trinity.fasta.transdecoder_70AA_mediumheader.pep"
+MMSEQS="/g/arendt/npapadop/repos/MMseqs2/build/bin/mmseqs"
+QUERY="/g/arendt/data/spongilla_singlecell_dataset/spongilla_lacustris_Trinity.fasta.transdecoder_70AA_mediumheader.fasta"
 BASE="/scratch/npapadop/"
 
 cd "${BASE}"
-colabfold_search "${QUERY}" database/ ./ --mmseqs "${MMSEQS}" --threads 128
\ No newline at end of file
+colabfold_search "${QUERY}" database/ ./ --mmseqs "${MMSEQS}" --threads 32
+
+module unload
\ No newline at end of file