diff --git a/run_colabfold.sh b/run_colabfold.sh index c590482..6042cdf 100755 --- a/run_colabfold.sh +++ b/run_colabfold.sh @@ -49,8 +49,10 @@ fi echo "Hostname: $HOSTNAME" echo "GPU: $CUDA_VISIBLE_DEVICES" -echo "Command line: 'colabfold_batch ${colabfold_args_list[@]} ${input} colabfold_outputs" +echo "Command line: colabfold_batch ${colabfold_args_list[@]} ${input} ${input_dir}/colabfold_outputs" + +input_dir=$(dirname $input) TF_CPP_MIN_LOG_LEVEL=2 -colabfold_batch ${colabfold_args_list[@]} ${input} colabfold_outputs +colabfold_batch ${colabfold_args_list[@]} ${input} ${input_dir}/colabfold_outputs diff --git a/run_colabfold_singularity.sh b/run_colabfold_singularity.sh index 2be190e..8c83da9 100755 --- a/run_colabfold_singularity.sh +++ b/run_colabfold_singularity.sh @@ -59,7 +59,8 @@ fasta_file=$(basename $input) echo "Hostname: $HOSTNAME" echo "GPU: $CUDA_VISIBLE_DEVICES" -echo "Command line: colabfold_batch ${colabfold_args_list[@]} ${input} colabfold_outputs" +# This is a bit of a lie, but is the effective command run taking bind mounts into account... +echo "Command line: colabfold_batch ${colabfold_args_list[@]} ${input} ${input_dir}/colabfold_outputs" export TF_CPP_MIN_LOG_LEVEL=2 singularity exec --nv -B ${input_dir}:/mnt ${image} \