diff --git a/misc/distributed_search/inner.sh b/misc/distributed_search/inner.sh index ad2c1c08..77cea3ec 100755 --- a/misc/distributed_search/inner.sh +++ b/misc/distributed_search/inner.sh @@ -15,11 +15,13 @@ cd $chunk_directory || exit # config file fixed as config.yaml config_filename="config.yaml" +N_THREADS=$N_CPUS + # run with or without custom quant_dir if [ -z "${quant_dir}" ]; then - alphadia --config ${config_filename} + alphadia --config ${config_filename} --config-dict "{\"general\": {\"thread_count\": $N_THREADS}}" else - alphadia --config ${config_filename} --quant-dir ${quant_dir} + alphadia --config ${config_filename} --config-dict "{\"general\": {\"thread_count\": $N_THREADS}}" --quant-dir ${quant_dir} fi echo "AlphaDIA completed successfully" diff --git a/misc/distributed_search/outer.sh b/misc/distributed_search/outer.sh index 74f763f3..48349711 100755 --- a/misc/distributed_search/outer.sh +++ b/misc/distributed_search/outer.sh @@ -11,8 +11,8 @@ #SBATCH --output=./logs/%j-%x-slurm.out # Set behavior when errors are encountered -# # TODO: unresolved issues with failing on error due to library generation steps expecting AlphaDIA to fail since there are no rawfiles. -set -u -x +# add -x for debugging +set -u -e # Default search parameters nnodes=1 @@ -119,7 +119,7 @@ if [[ "$predict_library" -eq 1 ]]; then --cpus-per-task=${cpus} \ --mem=${mem} \ --output="${home_directory}/logs/%j-%x-speclib-slurm.out" \ - --export=ALL --wrap="alphadia --config=speclib_config.yaml" + --export=ALL,N_CPUS=$cpus --wrap="alphadia --config=speclib_config.yaml" # navigate back to home directory cd "${home_directory}" @@ -156,7 +156,7 @@ if [[ "$first_search" -eq 1 ]]; then --ntasks-per-node=${ntasks_per_node} \ --cpus-per-task=${cpus} \ --mem=${mem} \ - --export=ALL,target_directory=${first_search_directory},quant_dir=${mbr_progress_directory} ./inner.sh + --export=ALL,N_CPUS=$cpus,target_directory=${first_search_directory},quant_dir=${mbr_progress_directory} ./inner.sh else echo "Skipping first search" fi @@ -187,7 +187,7 @@ if [[ "$mbr_library" -eq 1 ]]; then --ntasks-per-node=${ntasks_per_node} \ --cpus-per-task=${cpus} \ --mem=${mem} \ - --export=ALL,target_directory=${mbr_library_directory} ./inner.sh + --export=ALL,N_CPUS=$cpus,target_directory=${mbr_library_directory} ./inner.sh else echo "Skipping MBR library building" fi @@ -217,7 +217,7 @@ if [[ "$second_search" -eq 1 ]]; then --ntasks-per-node=${ntasks_per_node} \ --cpus-per-task=${cpus} \ --mem=${mem} \ - --export=ALL,target_directory=${second_search_directory},quant_dir=${lfq_progress_directory} ./inner.sh + --export=ALL,N_CPUS=$cpus,target_directory=${second_search_directory},quant_dir=${lfq_progress_directory} ./inner.sh else echo "Skipping second search" fi @@ -248,7 +248,7 @@ if [[ "$lfq" -eq 1 ]]; then --ntasks-per-node=${ntasks_per_node} \ --cpus-per-task=${cpus} \ --mem=${mem} \ - --export=ALL,target_directory=${lfq_directory} ./inner.sh + --export=ALL,N_CPUS=$cpus,target_directory=${lfq_directory} ./inner.sh else echo "Skipping LFQ" fi