diff --git a/downloads-generation/models_class1_pan_unselected/GENERATE.WITH_HPC_CLUSTER.sh b/downloads-generation/models_class1_pan_unselected/GENERATE.WITH_HPC_CLUSTER.sh
index ec154e9a3b0ebb84411d84b316ac6b307899fc0a..03023a915083fc1c2c24a85ad1909bbb15ef7411 100755
--- a/downloads-generation/models_class1_pan_unselected/GENERATE.WITH_HPC_CLUSTER.sh
+++ b/downloads-generation/models_class1_pan_unselected/GENERATE.WITH_HPC_CLUSTER.sh
@@ -14,14 +14,21 @@ SCRIPT_ABSOLUTE_PATH="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)/$(basename "
SCRIPT_DIR=$(dirname "$SCRIPT_ABSOLUTE_PATH")
mkdir -p "$SCRATCH_DIR"
-rm -rf "$SCRATCH_DIR/$DOWNLOAD_NAME"
-mkdir "$SCRATCH_DIR/$DOWNLOAD_NAME"
+if [ "$1" != "continue-incomplete" ]
+then
+ echo "Fresh run"
+ rm -rf "$SCRATCH_DIR/$DOWNLOAD_NAME"
+ mkdir "$SCRATCH_DIR/$DOWNLOAD_NAME"
+else
+ echo "Continuing incomplete run"
+fi
# Send stdout and stderr to a logfile included with the archive.
exec > >(tee -ia "$SCRATCH_DIR/$DOWNLOAD_NAME/LOG.txt")
exec 2> >(tee -ia "$SCRATCH_DIR/$DOWNLOAD_NAME/LOG.txt" >&2)
# Log some environment info
+echo "Invocation: $0 $@"
date
pip freeze
git status
@@ -31,12 +38,22 @@ cd $SCRATCH_DIR/$DOWNLOAD_NAME
export OMP_NUM_THREADS=1
export PYTHONUNBUFFERED=1
-cp $SCRIPT_DIR/generate_hyperparameters.py .
-python generate_hyperparameters.py > hyperparameters.yaml
+if [ "$1" != "continue-incomplete" ]
+then
+ cp $SCRIPT_DIR/generate_hyperparameters.py .
+ python generate_hyperparameters.py > hyperparameters.yaml
+fi
for kind in with_mass_spec no_mass_spec
do
- echo mhcflurry-class1-train-pan-allele-models \
+ EXTRA_TRAIN_ARGS=""
+ if [ "$1" == "continue-incomplete" ] && [ -d "models.${kind}" ]
+ then
+ echo "Will continue existing run: $kind"
+ EXTRA_TRAIN_ARGS="--continue-incomplete"
+ fi
+
+ mhcflurry-class1-train-pan-allele-models \
--data "$(mhcflurry-downloads path data_curated)/curated_training_data.${kind}.csv.bz2" \
--allele-sequences "$(mhcflurry-downloads path allele_sequences)/allele_sequences.csv" \
--pretrain-data "$(mhcflurry-downloads path random_peptide_predictions)/predictions.csv.bz2" \
@@ -50,26 +67,7 @@ do
--cluster-submit-command bsub \
--cluster-results-workdir ~/mhcflurry-scratch \
--cluster-script-prefix-path $SCRIPT_DIR/cluster_submit_script_header.mssm_hpc.lsf \
- \\ > INITIALIZE.${kind}.sh
-
- cp INITIALIZE.${kind}.sh PROCESS.${kind}.sh
- echo "--only-initialize" >> INITIALIZE.${kind}.sh
- echo "--continue-incomplete" >> PROCESS.${kind}.sh
-
- bash INITIALIZE.${kind}.sh
- echo "Done initializing."
-
- bash PROCESS.${kind}.sh && touch $(pwd)/models.${kind}/COMPLETE || true
- echo "Processing terminated."
-
- # In case the above command fails, the job can may still be fixable manually.
- # So we wait for the COMPLETE file here.
- while [ ! -f models.${kind}/COMPLETE ]
- do
- echo "Waiting for $(pwd)/models.${kind}/COMPLETE"
- echo "Processing script: $(pwd)/PROCESS.${kind}.sh"
- sleep 60
- done
+ $EXTRA_TRAIN_ARGS
done
cp $SCRIPT_ABSOLUTE_PATH .
diff --git a/downloads-generation/models_class1_pan_unselected/GENERATE.sh b/downloads-generation/models_class1_pan_unselected/GENERATE.sh
index 4be7648aec01ce91adae8370f3e0512fecd31dd8..511dcae67c147be841c60f16018872c81eae968b 100755
--- a/downloads-generation/models_class1_pan_unselected/GENERATE.sh
+++ b/downloads-generation/models_class1_pan_unselected/GENERATE.sh
@@ -11,8 +11,14 @@ SCRIPT_ABSOLUTE_PATH="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)/$(basename "
SCRIPT_DIR=$(dirname "$SCRIPT_ABSOLUTE_PATH")
mkdir -p "$SCRATCH_DIR"
-rm -rf "$SCRATCH_DIR/$DOWNLOAD_NAME"
-mkdir "$SCRATCH_DIR/$DOWNLOAD_NAME"
+if [ "$1" != "continue-incomplete" ]
+then
+ echo "Fresh run"
+ rm -rf "$SCRATCH_DIR/$DOWNLOAD_NAME"
+ mkdir "$SCRATCH_DIR/$DOWNLOAD_NAME"
+else
+ echo "Continuing incomplete run"
+fi
# Send stdout and stderr to a logfile included with the archive.
exec > >(tee -ia "$SCRATCH_DIR/$DOWNLOAD_NAME/LOG.txt")
@@ -43,8 +49,21 @@ echo "Num jobs: $NUM_JOBS"
export PYTHONUNBUFFERED=1
+if [ "$1" != "continue-incomplete" ]
+then
+ cp $SCRIPT_DIR/generate_hyperparameters.py .
+ python generate_hyperparameters.py > hyperparameters.yaml
+fi
+
for kind in with_mass_spec no_mass_spec
do
+ EXTRA_TRAIN_ARGS=""
+ if [ "$1" == "continue-incomplete" ] && [ -d "models.${kind}" ]
+ then
+ echo "Will continue existing run: $kind"
+ EXTRA_TRAIN_ARGS="--continue-incomplete"
+ fi
+
mhcflurry-class1-train-pan-allele-models \
--data "$(mhcflurry-downloads path data_curated)/curated_training_data.${kind}.csv.bz2" \
--allele-sequences "$(mhcflurry-downloads path allele_sequences)/allele_sequences.csv" \
@@ -55,7 +74,8 @@ do
--out-models-dir models.${kind} \
--worker-log-dir "$SCRATCH_DIR/$DOWNLOAD_NAME" \
--verbosity 0 \
- --num-jobs $NUM_JOBS --max-tasks-per-worker 1 --gpus $GPUS --max-workers-per-gpu 1
+ --num-jobs $NUM_JOBS --max-tasks-per-worker 1 --gpus $GPUS --max-workers-per-gpu 1 \
+ $EXTRA_TRAIN_ARGS
done
cp $SCRIPT_ABSOLUTE_PATH .
diff --git a/downloads-generation/models_class1_pan_unselected/generate_hyperparameters.py b/downloads-generation/models_class1_pan_unselected/generate_hyperparameters.py
index defa64812ca422e9352468044b20f53544066c72..8f8bf51880202a5161e9273bb0be0f4e6518ad3c 100644
--- a/downloads-generation/models_class1_pan_unselected/generate_hyperparameters.py
+++ b/downloads-generation/models_class1_pan_unselected/generate_hyperparameters.py
@@ -36,7 +36,7 @@ base_hyperparameters = {
'peptide_dense_layer_sizes': [],
'random_negative_affinity_max': 50000.0,
'random_negative_affinity_min': 20000.0,
- 'random_negative_constant': 25,
+ 'random_negative_constant': 1500,
'random_negative_distribution_smoothing': 0.0,
'random_negative_match_distribution': True,
'random_negative_rate': 0.2,
diff --git a/mhcflurry/local_parallelism.py b/mhcflurry/local_parallelism.py
index 85806b71ba0784cce08e140b31633c5e797b5537..b471f52a20b104d191455e8bd842096470950bdc 100644
--- a/mhcflurry/local_parallelism.py
+++ b/mhcflurry/local_parallelism.py
@@ -1,7 +1,7 @@
import traceback
import sys
import os
-import functools
+import time
from multiprocessing import Pool, Queue, cpu_count
from six.moves import queue
from multiprocessing.util import Finalize
@@ -218,12 +218,9 @@ def worker_init_entry_point(
def worker_init(keras_backend=None, gpu_device_nums=None, worker_log_dir=None):
if worker_log_dir:
- sys.stderr = sys.stdout = open(
- os.path.join(worker_log_dir, "LOG-"
- ""
- ""
- ""
- "worker.%d.txt" % os.getpid()), "w")
+ sys.stderr = sys.stdout = open(os.path.join(
+ worker_log_dir,
+ "LOG-worker.%d.%d.txt" % (os.getpid(), int(time.time()))), "w")
# Each worker needs distinct random numbers
numpy.random.seed()