added folders param_scan and scan_size

SINGROUP · Oct 8, 2017 · 1c4be6f · 1c4be6f
1 parent 7b71004
commit 1c4be6f
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Showing 12 changed files with 978 additions and 5 deletions.
diff --git a/exampledata/test_features_1000.npy b/exampledata/test_features_1000.npy
diff --git a/exampledata/test_labels_1000.npy b/exampledata/test_labels_1000.npy
diff --git a/learn-batch.slrm b/learn-batch.slrm
@@ -24,7 +24,7 @@ echo "start"
 echo $work_dir
 
 echo "Running Python sklearn_krr_mlp.py"
-python3 sklearn_krr_mlp.py param /scratch/work/jagerm1/critcat/aucu/ml/aucu_13atomic/AuCu_clustertype13atomic_pristine_Hn1_cnstr_ver3_MJ20170509/soap/data/a0_0.5_acut_5_n_3_l_9.npy /scratch/work/jagerm1/critcat/aucu/ml/aucu_13atomic/AuCu_clustertype13atomic_pristine_Hn1_cnstr_ver3_MJ20170509/soap/data/aucu_13atomic_adsen_corr.npy  krr
+python3 sklearn_krr_mlp.py run featurepath labelpath krr
 
 ############################################################################
 echo "Name of the partition in which the job is running: $SLURM_JOB_PARTITION"

diff --git a/learn-debug.slrm b/learn-debug.slrm
@@ -1,9 +1,9 @@
 #!/bin/bash
 #SBATCH -p debug #partition
-#SBATCH -t 00:10:00
+#SBATCH -t 00:30:00
 #SBATCH --mem-per-cpu=4000
 #SBATCH -o sbatch-hsw-%j.out
-#SBATCH -n 8
+#SBATCH -n 16
 ##SBATCH -c 4
 #SBATCH -N 1
 ##SBATCH --constraint=hsw
@@ -23,7 +23,7 @@ source activate /scratch/work/jagerm1/custom_env/np_scipy_sklearn
 echo "start"
 echo $work_dir
 echo "Running Python sklearn_krr_mlp.py"
-python3 sklearn_krr_mlp.py run /scratch/work/jagerm1/critcat/aucu/ml/aucu_13atomic/AuCu_clustertype13atomic_pristine_Hn1_cnstr_ver3_MJ20170509/soap/data/a0_0.5_acut_5_n_3_l_9.npy /scratch/work/jagerm1/critcat/aucu/ml/aucu_13atomic/AuCu_clustertype13atomic_pristine_Hn1_cnstr_ver3_MJ20170509/soap/data/aucu_13atomic_adsen_corr.npy  krr
+python3 sklearn_krr_mlp.py run featurepath labelpath krr
 
 ############################################################################
 echo "Name of the partition in which the job is running: $SLURM_JOB_PARTITION"

diff --git a/param_scan/learn-batch.slrm b/param_scan/learn-batch.slrm
@@ -0,0 +1,41 @@
+#!/bin/bash
+#SBATCH -p batch #partition
+#SBATCH -t 03:30:00
+#SBATCH --mem-per-cpu=5000
+#SBATCH -o sbatch-hsw-%j.out
+#SBATCH -n 20
+##SBATCH -c 4
+#SBATCH -N 1
+##SBATCH --constraint=hsw
+##SBATCH --array=50,100,150,200,250,300,350,400,450,500
+
+### PREPARE ###
+
+module load anaconda3
+source activate /scratch/work/jagerm1/custom_env/np_scipy_sklearn
+
+## use first input you get
+
+
+
+### PROCESS ###
+
+echo "start"
+echo $work_dir
+
+echo "Running Python sklearn_krr_mlp.py"
+# $1 = features
+# $2 = labels
+
+python3 sklearn_krr_mlp.py param $1 $2 krr
+############################################################################
+echo "Name of the partition in which the job is running: $SLURM_JOB_PARTITION"
+echo "Name of the node running the job script: $SLURMD_NODENAME"
+echo "     The ID of the job allocation: $SLURM_JOB_ID"
+echo "     List of nodes allocated to the job: $SLURM_JOB_NODELIST"
+
+source deactivate
+
+echo "finnish"
+
+
diff --git a/param_scan/learn-debug.slrm b/param_scan/learn-debug.slrm
@@ -0,0 +1,41 @@
+#!/bin/bash
+#SBATCH -p debug #partition
+#SBATCH -t 00:30:00
+#SBATCH --mem-per-cpu=4000
+#SBATCH -o sbatch-hsw-%j.out
+#SBATCH -n 16
+##SBATCH -c 4
+#SBATCH -N 1
+##SBATCH --constraint=hsw
+##SBATCH --array=50,100,150,200,250,300,350,400,450,500
+
+### PREPARE ###
+
+module load anaconda3
+source activate /scratch/work/jagerm1/custom_env/np_scipy_sklearn
+
+## use first input you get
+
+
+
+### PROCESS ###
+
+echo "start"
+echo $work_dir
+echo "Running Python sklearn_krr_mlp.py"
+# $1 = features
+# $2 = labels
+
+python3 sklearn_krr_mlp.py param $1 $2 krr
+
+############################################################################
+echo "Name of the partition in which the job is running: $SLURM_JOB_PARTITION"
+echo "Name of the node running the job script: $SLURMD_NODENAME"
+echo "     The ID of the job allocation: $SLURM_JOB_ID"
+echo "     List of nodes allocated to the job: $SLURM_JOB_NODELIST"
+
+source deactivate
+
+echo "finnish"
+
+