support for gpu's untested

conf/vsc_kul_uhasselt.config

@@ -39,7 +39,7 @@ process {
     stageOutMode = "rsync"
     errorStrategy = { sleep(Math.pow(2, task.attempt) * 200 as long); return 'retry' }
     maxRetries    = 5
-    // array = 50
+    array = 50
 }
 
 // Specify that singularity should be used and where the cache dir will be for the images
@@ -66,14 +66,11 @@ profiles {
             config_profile_description = 'HPC_GENIUS profile for use on the genius cluster of the VSC HPC.'
             config_profile_contact = 'GitHub: @Joon-Klaps - Email: [email protected]'
             config_profile_url = 'https://docs.vscentrum.be/en/latest/index.html'
-            max_memory = 703.GB  // 768 - 65 so 65GB for overhead, max is 720000MB
-            max_time = 168.h
-            max_cpus = 36
         }
 
         process {
             resourceLimits = [
-                memory: 703.GB,
+                memory: 703.GB, // 768 - 65 so 65GB for overhead, max is 720000MB
                 cpus: 136,
                 time: 168.h
             ]
@@ -96,6 +93,17 @@ profiles {
                     }
                 }
             }
+
+            withLabel: gpu {
+                beforeScript     = 'cuDNN/8.4.1.50-CUDA-11.7.0'
+                queue = { task.time >= 72.h ? 'gpu_p100_long,gpu_v100_long,amd_long' : 'gpu_p100,gpu_v100' }
+                containerOptions = {
+                    workflow.containerEngine == "singularity"
+                        ? '--containall --cleanenv --nv'
+                        : (workflow.containerEngine == "docker" ? '--gpus all' : null)
+                }
+            }
+
             clusterOptions = { "--clusters=genius --account=$tier1_project" }
             scratch = "$scratch_dir"
         }
@@ -107,14 +115,11 @@ profiles {
             config_profile_description = 'HPC_WICE profile for use on the Wice cluster of the VSC HPC.'
             config_profile_contact = 'GitHub: @Joon-Klaps - Email: [email protected]'
             config_profile_url = 'https://docs.vscentrum.be/en/latest/index.html'
-            max_memory = 1968.GB // max is 2016000
-            max_cpus = 72
-            max_time = 168.h
         }
 
         process {
             resourceLimits = [
-                memory: 1968.GB,
+                memory: 1968.GB, // max is 2016000
                 cpus: 72,
                 time: 168.h
             ]
@@ -137,6 +142,25 @@ profiles {
                     }
                 }
             }
+
+            withLabel: gpu {
+                beforeScript     = 'cuDNN/8.4.1.50-CUDA-11.7.0'
+                queue = { task.time >= 72.h ?
+                    ['dedicated_big_gpu',
+                    'dedicated_big_gpu_h100',
+                    ].join(',')
+                    :
+                    ['gpu',
+                    'gpu_h100',
+                    ].join(',')
+                }
+                containerOptions = {
+                    workflow.containerEngine == "singularity"
+                        ? '--containall --cleanenv --nv'
+                        : (workflow.containerEngine == "docker" ? '--gpus all' : null)
+                }
+            }
+
             clusterOptions = { "--clusters=wice --account=$tier1_project"}
             scratch = "$scratch_dir"
         }
@@ -147,14 +171,11 @@ profiles {
             config_profile_description = 'HPC_SUPERDOME profile for use on the genius cluster of the VSC HPC.'
             config_profile_contact = 'GitHub: @Joon-Klaps - Email: [email protected]'
             config_profile_url = 'https://docs.vscentrum.be/en/latest/index.html'
-            max_memory = 5772.GB // 6000 - 228 so 228GB for overhead, max is 5910888MB
-            max_cpus = 14
-            max_time = 168.h
         }
 
         process {
             resourceLimits = [
-                memory: 5772.GB,
+                memory: 5772.GB, // 6000 - 228 so 228GB for overhead, max is 5910888MB
                 cpus: 14,
                 time: 168.h
             ]