only support cardinal cluster (#13)

form.yml

@@ -1,9 +1,7 @@
----
 cluster:
-  - "owens"
   - "cardinal"
 form:
-  - auto_modules_schrodinger
+  - schrodinger_version
   - auto_accounts
   - bc_num_hours
   - bc_num_slots
@@ -13,6 +11,11 @@ form:
   - bc_vnc_resolution
   - bc_email_on_started
 attributes:
+  schrodinger_version:
+    widget: 'select'
+    options:
+      - ["2023.2", "schrodinger/2023.2"]
+      - ["2024.2", "schrodinger/2024.2"]
   num_cores:
     widget: "number_field"
     label: "Number of cores"
@@ -21,48 +24,39 @@ attributes:
       Number of cores on node type (4 GB per core unless requesting whole
       node). Leave blank if requesting full node.
     min: 0
-    max: 28
+    max: 96
     step: 1
-    id: 'num_cores'
-  bc_num_slots: "1"
   bc_vnc_resolution:
     required: true
   node_type:
     widget: select
     label: "Node type"
     help: |
-      - **any** - (*1-28 cores*) Use any available Owens node. This reduces the
+      - **any** - (*96 cores*) Use any available Cardinal node. This reduces the
         wait time as there are no node requirements.
-      - **hugemem** - (*4-48 cores*) Use an Owens node that has 1.5TB of
-        available RAM as well as 48 cores. There are 16 of these nodes on
-        Owens.
-      - **vis** - (*1-28 cores*) Use an Owens node that has an [NVIDIA Tesla P100
-        GPU](http://www.nvidia.com/object/tesla-p100.html) with an X server
+      - **vis** - (*96 cores*) Use an Cardinal node that has an [NVIDIA H100
+        GPU](https://www.nvidia.com/en-us/data-center/h100/) with an X server
         running in the background. This utilizes the GPU for hardware
-        accelerated 3D visualization. There are 160 of these nodes on Owens.
+        accelerated 3D visualization. There are 32 of these nodes on Owens.
+      - **hugemem** - (*96 cores*) Use an Cardinal node that has 2 TB of
+        available RAM as well as 96 cores. There are 16 of these nodes on
+        Owens. Requesting these nodes always reserve entire nodes.
     options:
       - [
-          "any",  "any",
+          'any', 'any',
+          data-max-num-cores: 96,
           data-min-num-cores: 1,
-          data-max-num-cores: 28,
         ]
       - [
-          "hugemem",  "hugemem",
-          data-min-num-cores: 4,
-          data-max-num-cores: 48,
-          data-option-for-cluster-cardinal: false,
+          'vis', 'vis',
+          data-max-num-cores: 96,
+          data-min-num-cores: 1,
         ]
       - [
-          "vis",  "vis",
-          data-min-num-cores: 1,
-          data-max-num-cores: 28,
+          'hugemem', 'hugemem',
+          data-max-num-cores: 96,
+          data-min-num-cores: 43,
         ]
-  version:
-    widget: select
-    label: "Schrodinger version"
-    help: "This defines the version of Schrodinger you want to load."
-    options:
-      - [ "2020.1", "schrodinger/2020.1" ]
   licenses:
     help: |
       If you want to use use macromodel, glide, ligprep, qikprep, or epik feature in Schrodinger,

template/script.sh.erb

@@ -1,6 +1,6 @@
 #!/usr/bin/env bash
 
-<%- gpu = context.node_type.include?("vis") -%>
+<%- gpu = context.node_type. == "vis" -%>
 
 # Clean the environment
 module purge
@@ -39,14 +39,11 @@ fi
 #
 
 # Load the required environment
-module load <%= context.auto_modules_schrodinger %>
+module load <%= context.schrodinger_version %>
 
 # Launch Schrodinger
 <%- if gpu -%>
-<%- if context.cluster == 'owens' -%>
-module load intel/16.0.3
-<%- end -%>
-module load virtualgl
+module load intel/2021.10.0 virtualgl
 module list
 set -x
 vglrun maestro -NOSGL