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add gadi config
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ziadbkh committed Apr 19, 2024
1 parent df3400f commit b66f9a3
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42 changes: 42 additions & 0 deletions conf/gadi.config
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/*
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Nextflow config file for running full-size tests
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Defines input files and everything required to run a full size pipeline test.
Use as follows:
nextflow run nf-core/proteinfold -profile test_full_alphafold2_split,<docker/singularity> --outdir <OUTDIR>
----------------------------------------------------------------------------------------
*/


if (params.use_gpu) { singularity.runOptions = '--nv' }
singularity.cacheDir = "/g/data/if89/singularity_cache/"
params {
mode = 'alphafold2'
alphafold2_mode = 'split_msa_prediction'
input = 'https://raw.githubusercontent.com/nf-core/test-datasets/proteinfold/testdata/samplesheet/v1.0/samplesheet.csv'
alphafold2_db = '/g/data/if89/alphafold2/standard/'
use_dgxa100 = false
}

process {
storage = "gdata/if89+scratch/${params.project}"

if (params.use_gpu) {
withName: 'RUN_ALPHAFOLD2_PRED|RUN_ALPHAFOLD2' {
if (params.use_dgxa100){
queue = "dgxa100"
cpus = 16
}else{
queue = "gpuvolta"
cpus = 12
}

gpus = 1

}
}

}
4 changes: 4 additions & 0 deletions nextflow.config
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Expand Up @@ -253,6 +253,10 @@ profiles {
test_full_colabfold_multimer { includeConfig 'conf/test_full_colabfold_webserver_multimer.config' }
test_full_esmfold { includeConfig 'conf/test_full_esmfold.config' }
test_full_esmfold_multimer { includeConfig 'conf/test_full_esmfold_multimer.config' }
gadi {
includeConfig 'https://raw.githubusercontent.com/nf-core/configs/master/conf/nci_gadi.config'
includeConfig 'conf/gadi.config'
}
}

// Set default registry for Apptainer, Docker, Podman and Singularity independent of -profile
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