managers for CECI clusters

.gitignore

@@ -42,6 +42,7 @@ abipy/extensions/*.html
 # vim files
 *.swp
 *.swo
+*.swn
 
 # Unit test / coverage reports
 .coverage

abipy/data/runs/managers/hmem_manager.yml

@@ -0,0 +1,71 @@
+# hmem hardware: http://www.ceci-hpc.be/clusters.html#hmem
+# See also http://www.cism.ucl.ac.be/faq/index.php#hmem_specifics
+high: &high
+   num_nodes: 2
+   sockets_per_node: 4
+   cores_per_socket: 12
+   mem_per_node: 512Gb
+
+
+middle: &middle
+   num_nodes: 7
+   sockets_per_node: 4
+   cores_per_socket: 12
+   mem_per_node: 256Gb
+
+low: &low
+   num_nodes: 7
+   sockets_per_node: 4
+   cores_per_socket: 12
+   mem_per_node: 128Gb
+
+
+job: &job
+    mpi_runner: mpirun
+    shell_env:
+        PATH: $HOME/local/bin:$PATH
+    modules:
+        - python/2.7
+    # pre_run is a string in verbatim mode (note |)
+    pre_run: |
+        ulimit unlimited
+
+policy:
+    autoparal: 1
+    automemory: 0
+    max_ncpus: 256
+
+# queues 
+qadapters:
+  - priority: 1
+    queue:
+       qname: high
+       qtype: slurm
+    limits:
+       timelimit: 10-0:0:0
+       min_cores: 1
+       max_cores: 48
+    hardware: *high
+    job: *job
+
+  - priority: 2
+    queue:
+       qname: middle
+       qtype: slurm
+    limits:
+       timelimit: 5-0:0:0
+       min_cores: 1
+       max_cores: 48
+    hardware: *middle
+    job: *job
+
+  - priority: 3
+    queue:
+       qname: low
+       qtype: slurm
+    limits:
+       timelimit: 5-0:0:0
+       min_cores: 1
+       max_cores: 48
+    hardware: *low
+    job: *job

abipy/data/runs/managers/lemaitre2.yml

@@ -0,0 +1,34 @@
+# lemaitre2 hardware: http://www.ceci-hpc.be/clusters.html#lemaitre2
+hardware: &hardware
+   num_nodes: 112
+   sockets_per_node: 2
+   cores_per_socket: 6
+   mem_per_node: 48Gb
+
+job: &job
+    mpi_runner: mpirun
+    shell_env:
+        PATH: $HOME/local/bin:$PATH
+    modules:
+        - python/2.7
+    # pre_run is a string in verbatim mode (note |)
+    pre_run: |
+        ulimit unlimited
+
+policy:
+    autoparal: 1
+    automemory: 0
+    max_ncpus: 256
+
+# queues 
+qadapters:
+  - priority: 1
+    queue:
+       qname: defq
+       qtype: slurm
+    limits:
+       timelimit: 3-0:0:0
+       min_cores: 1
+       max_cores: 120
+    hardware: *hardware
+    job: *job

abipy/data/runs/managers/nic4_manager.yml

@@ -0,0 +1,34 @@
+# nic4 hardware. see http://www.ceci-hpc.be/clusters.html#nic4
+hardware: &hardware
+   num_nodes: 120
+   sockets_per_node: 2
+   cores_per_socket: 8
+   mem_per_node: 64Gb
+
+job: &job
+    mpi_runner: mpirun
+    shell_env:
+        PATH: $HOME/local/bin:$PATH
+    modules:
+        - python/2.7
+    # pre_run is a string in verbatim mode (note |)
+    pre_run: |
+        ulimit unlimited
+
+policy:
+    autoparal: 1
+    automemory: 0
+    max_ncpus: 256
+
+# queues 
+qadapters:
+  - priority: 1
+    queue:
+       qname: main
+       qtype: slurm
+    limits:
+       timelimit: 2-0:0:0
+       min_cores: 1
+       max_cores: 256
+    hardware: *hardware
+    job: *job

abipy/data/runs/managers/vega_manager.yml

@@ -0,0 +1,34 @@
+# vega hardware: http://www.ceci-hpc.be/clusters.html#vega
+hardware: &hardware
+   num_nodes: 44
+   sockets_per_node: 4
+   cores_per_socket: 16
+   mem_per_node: 256Gb
+
+job: &job
+    mpi_runner: mpirun
+    shell_env:
+        PATH: $HOME/local/bin:$PATH
+    modules:
+        - python/2.7
+    # pre_run is a string in verbatim mode (note |)
+    pre_run: |
+        ulimit unlimited
+
+policy:
+    autoparal: 1
+    automemory: 0
+    max_ncpus: 256
+
+# queues 
+qadapters:
+  - priority: 1
+    queue:
+       qname: defq
+       qtype: slurm
+    limits:
+       timelimit: 7-0:0:0
+       min_cores: 1
+       max_cores: 1024
+    hardware: *hardware
+    job: *job

abipy/data/runs/managers/zenobe_manager.yml

@@ -41,12 +41,12 @@ db_connector:
 # List of qdapters. 
 qadapters:
   # Westmere default.
-  - priority: 1
+  - priority: 99
     queue: 
        qname: main
        qtype: pbspro
        qparams:
-       group_list: naps
+         group_list: naps
          #qverbatim: |
          #  #PBS -r y
     limits:
@@ -57,7 +57,7 @@ qadapters:
     hardware: *westmere 
   
   # Ivybridge large.
-  - priority: 99
+  - priority: 1
     queue: 
        qname: large
        qtype: pbspro

abipy/data/runs/taskmanager.yml

@@ -1,44 +1,43 @@
 ---
 #host: gmac
-qtype: shell
+#qtype: shell
-mpi_runner: mpirun
+#mpi_runner: mpirun
-pre_run: "source ~/env.sh"
+#pre_run: "source ~/env.sh"
-shell_env:
+#shell_env:
-    PATH: "~/Coding/Abinit/bzr_archives/773/gmatteo-private/gcc/src/98_main/:$PATH"
+#    PATH: "~/Coding/Abinit/bzr_archives/773/gmatteo-private/gcc/src/98_main/:$PATH"
-    DYLD_LIBRARY_PATH: /opt/intel/composerxe-2011.0.085/mkl/lib/:/opt/intel/composerxe-2011.0.085/compiler/lib/:$DYLD_LIBRARY_PATH
+#    DYLD_LIBRARY_PATH: /opt/intel/composerxe-2011.0.085/mkl/lib/:/opt/intel/composerxe-2011.0.085/compiler/lib/:$DYLD_LIBRARY_PATH
-##omp_env:
+###omp_env:
-#    OMP_NUM_THREADS: 4
+##    OMP_NUM_THREADS: 4
 policy:
     autoparal: 1
     max_ncpus: 2
-    #automemory: 0
+#    #automemory: 0
-    #mode: aggressive
+#    #mode: aggressive
-    #condition: {omp_ncpus: {$eq: 2}}}
+#    #condition: {omp_ncpus: {$eq: 2}}}
-    #condition: {mem_per_cpu: {$le: 10}}}
+#    #condition: {mem_per_cpu: {$le: 10}}}
-    #condition: {efficiency: {$gt: 0.99}}}
+#    #condition: {efficiency: {$gt: 0.99}}}
-    #condition: {$and: [ {efficiency: {$gt: 0.99}}, {tot_ncpus: {$divisible: 2}} ]}
+#    #condition: {$and: [ {efficiency: {$gt: 0.99}}, {tot_ncpus: {$divisible: 2}} ]}
 #qtype: shell
-#qadapters: 
+qadapters: 
-#    - priority: 1 
+    - priority: 1 
-#      queue:
+      queue:
-#        qname: gmac
+        qname: gmac
-#        qtype: shell
+        qtype: shell
-#      job:
+      job:
-#        mpi_runner: mpirun
+        mpi_runner: mpirun
-#        pre_run: 
+        pre_run: 
-#         - source ~/env.sh
+         - source ~/env.sh
-#         - ulimit
+      limits:
-#      limits:
+         min_cores: 1
-#         min_cores: 1
+         max_cores: 2
-#         max_cores: 2
+         timelimit: 1:00:00
-#         timelimit: 1:00:00
+      hardware:
-#      hardware:
+         num_nodes: 1
-#         num_nodes: 1
+         sockets_per_node: 1
-#         sockets_per_node: 1
+         cores_per_socket: 2
-#         cores_per_socket: 2
+         mem_per_node: 4 Gb
-#         mem_per_node: 4 Gb
+         # Optional
-#         # Optional
+         #condition: {"$eq": {omp_threads: 2}} 
-#         #condition: {"$eq": {omp_threads: 2}} 
 #db_connector:
 #    enabled: no
 #    database: abinit