Merge pull request #498 from maxozo/master

Leicester config improved, have added a dynamic memory selection for PBS, and a GPU settings to run a gpu jobs.

conf/leicester.config

@@ -2,6 +2,11 @@
 params {
   config_profile_description = 'ALICE and SPECTRE cluster profile provided by nf-core/configs.'
   config_profile_contact = 'Matiss Ozols - mo246@leichester.ac.uk | mo11@sanger.ac.uk | matiss.ozols@manchester.ac.uk | mo513@cam.ac.uk'
+
+  max_cpus = 24
+  max_memory = 240.GB
+  max_time = 168.h
+
 }
 
 singularity {
@@ -10,7 +15,20 @@ singularity {
 }
 
 process {
+  beforeScript = 'module load singularity/3.7.1'
   executor = 'pbs'
-  queue = { task.time <= 24.h ? 'short' : task.time > 672.h ? 'long' : 'medium'}
+  cpus   = 1
+  pollInterval = '1 min'
+  queueStatInterval = '2 min'   
+  memory =  24.GB
+  time   = 12.h  
+  clusterOptions = { "-l vmem=${(task.memory).toGiga()}g" }
+
+  //queue = { task.time <= 24.h ? 'short' : task.time > 672.h ? 'long' : 'medium'}
+  withLabel: gpu {
+      beforeScript = 'module load cuda11.4/toolkit/11.4.1'
+      clusterOptions = '-l nodes=1:ppn=4:gpus=1 -l vmem=24g'
+      queue = 'gpu'
+  }
 }