add ml container for ax and pytorch

main/tools/container/singularity/commands

@@ -1,4 +1,5 @@
 
+# aipanda180
 # cp -r /eos/user/w/wguan/idds_ml/singularity/* /opt/singularity
 
 cd /opt/singularity/

main/tools/container/singularity/idds_ml_ax_al9.def

@@ -0,0 +1,32 @@
+Bootstrap: docker
+From: almalinux:9.2
+
+%post
+    # yum update -q -y
+    yum install -q -y wget make git gcc openssl-devel bzip2-devel libffi-devel which pip
+
+    ln -s /usr/bin/python3 /usr/bin/python
+
+    pip install --upgrade pip
+    pip install nevergrad
+    pip install theano keras h5py matplotlib tabulate
+    pip install bayesian-optimization
+    pip install xgboost
+    pip install lightgbm
+    pip install ax-platform
+
+    pip install torch pandas numpy matplotlib wandb botorch
+
+    # clean the cache
+    rm -fr /root/.cache
+
+%environment
+    # export LC_ALL=C
+    # export PATH=/usr/games:$PATH
+
+%labels
+    Maintainer iDDS_HPO_Nevergrad([email protected])
+    Version v1.0
+
+%runscript
+    echo "iDDS ML hyper parameter optimization plugin"

main/tools/container/singularity/ml_command

@@ -0,0 +1,62 @@
+[root@aipanda180 singularity]# apptainer remote add --no-login SylabsCloud cloud.sylabs.io
+INFO:    Remote "SylabsCloud" added.
+
+[root@aipanda180 singularity]# apptainer remote login
+Generate an access token at https://cloud.sylabs.io/auth/tokens, and paste it here.
+Token entered will be hidden for security.
+Access Token: 
+INFO:    Access Token Verified!
+INFO:    Token stored in /root/.apptainer/remote.yaml
+
+
+[root@aipanda180 singularity]# singularity keys newpair
+Enter your name (e.g., John Doe) : Wen Guan
+Enter your email address (e.g., [email protected]) : [email protected]
+Enter optional comment (e.g., development keys) : dev
+Enter a passphrase : 
+Retype your passphrase : 
+WARNING: passphrases do not match
+Enter a passphrase : 
+Retype your passphrase : 
+Generating Entity and OpenPGP Key Pair... done
+[root@aipanda180 singularity]# singularity keys list
+Public key listing (/root/.apptainer/keys/pgp-public):
+
+0)  User:              Wen Guan (dev) <[email protected]>
+    Creation time:     2024-04-02 11:47:04 +0200 CEST
+    Fingerprint:       11B3BCA23474A37E2BB72F8EAD61E4FD656ABA65
+    Length (in bits):  4096
+
+
+[root@aipanda180 singularity]# singularity keys push 11B3BCA23474A37E2BB72F8EAD61E4FD656ABA65
+public key `11B3BCA23474A37E2BB72F8EAD61E4FD656ABA65' pushed to server successfully
+[root@aipanda180 singularity]# ls /root/.apptainer/
+cache  keys  remote-cache  remote.yaml
+[root@aipanda180 singularity]# ls /root/.apptainer/keys/
+pgp-public  pgp-secret
+
+
+[root@aipanda180 singularity]# singularity sign idds_ml_ax_al9.simg 
+INFO:    Signing image with PGP key material
+Enter key passphrase : 
+INFO:    Signature created and applied to image 'idds_ml_ax_al9.simg'
+[root@aipanda180 singularity]# singularity verify idds_ml_ax_al9.simg 
+INFO:    Verifying image with PGP key material
+[LOCAL]   Signing entity: Wen Guan (dev) <[email protected]>
+[LOCAL]   Fingerprint: 11B3BCA23474A37E2BB72F8EAD61E4FD656ABA65
+Objects verified:
+ID  |GROUP   |LINK    |TYPE
+------------------------------------------------
+1   |1       |NONE    |Def.FILE
+2   |1       |NONE    |JSON.Generic
+3   |1       |NONE    |FS
+INFO:    Verified signature(s) from image 'idds_ml_ax_al9.simg'
+
+
+[root@aipanda180 singularity]# cp /root/.apptainer/
+cache/        keys/         remote-cache/ remote.yaml   
+[root@aipanda180 singularity]# cp /root/.apptainer/remote.yaml /afs/cern.ch/user/w/wguan/private/apptainer/
+[root@aipanda180 singularity]# cp -r /root/.apptainer/keys /afs/cern.ch/user/w/wguan/private/apptainer/
+
+
+[root@aipanda180 singularity]# singularity push idds_ml_ax_al9.simg library://wguanicedew/ml/idds_ml_ax_al9.sif:latest

main/tools/env/setup_panda.sh

@@ -71,12 +71,12 @@ else
     export PANDA_CONFIG_ROOT=~/.panda/
 
     # export IDDS_HOST=https://aipanda015.cern.ch:443/idds
-
+   
     # dev
-    export IDDS_HOST=https://aipanda104.cern.ch:443/idds
+    # export IDDS_HOST=https://aipanda104.cern.ch:443/idds
 
     # doma
-    # export IDDS_HOST=https://aipanda105.cern.ch:443/idds
+    export IDDS_HOST=https://aipanda105.cern.ch:443/idds
 
     # export IDDS_BROKERS=atlas-test-mb.cern.ch:61013
     # export IDDS_BROKER_DESTINATION=/topic/doma.idds

monitor/data/conf.js

@@ -1,9 +1,9 @@
 
 var appConfig = {
-    'iddsAPI_request': "https://lxplus964.cern.ch:443/idds/monitor_request/null/null",
-    'iddsAPI_transform': "https://lxplus964.cern.ch:443/idds/monitor_transform/null/null",
-    'iddsAPI_processing': "https://lxplus964.cern.ch:443/idds/monitor_processing/null/null",
-    'iddsAPI_request_detail': "https://lxplus964.cern.ch:443/idds/monitor/null/null/true/false/false",
-    'iddsAPI_transform_detail': "https://lxplus964.cern.ch:443/idds/monitor/null/null/false/true/false",
-    'iddsAPI_processing_detail': "https://lxplus964.cern.ch:443/idds/monitor/null/null/false/false/true"
+    'iddsAPI_request': "https://lxplus998.cern.ch:443/idds/monitor_request/null/null",
+    'iddsAPI_transform': "https://lxplus998.cern.ch:443/idds/monitor_transform/null/null",
+    'iddsAPI_processing': "https://lxplus998.cern.ch:443/idds/monitor_processing/null/null",
+    'iddsAPI_request_detail': "https://lxplus998.cern.ch:443/idds/monitor/null/null/true/false/false",
+    'iddsAPI_transform_detail': "https://lxplus998.cern.ch:443/idds/monitor/null/null/false/true/false",
+    'iddsAPI_processing_detail': "https://lxplus998.cern.ch:443/idds/monitor/null/null/false/false/true"
 }

workflow/tools/env/environment.yml

@@ -5,4 +5,5 @@ dependencies:
 - pip:
   - anytree
   - networkx
-  - idds-common==2.0.9
+  - stomp.py==8.0.1
+  - idds-common==2.0.9

workflow/tools/make/environment.yaml

@@ -11,7 +11,7 @@ dependencies:
   - packaging
   - anytree
   - networkx
-  - stomp.py
+  - stomp.py==8.0.1
   - panda-client
   - cffi
   - charset_normalizer