diff --git a/.gitignore b/.gitignore index 37117a4a..2ba04c4a 100644 --- a/.gitignore +++ b/.gitignore @@ -42,6 +42,7 @@ abipy/extensions/*.html # vim files *.swp *.swo +*.swn # Unit test / coverage reports .coverage diff --git a/abipy/data/runs/managers/hmem_manager.yml b/abipy/data/runs/managers/hmem_manager.yml new file mode 100644 index 00000000..feb7ab1e --- /dev/null +++ b/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 diff --git a/abipy/data/runs/managers/lemaitre2.yml b/abipy/data/runs/managers/lemaitre2.yml new file mode 100644 index 00000000..5e5cf981 --- /dev/null +++ b/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 diff --git a/abipy/data/runs/managers/nic4_manager.yml b/abipy/data/runs/managers/nic4_manager.yml new file mode 100644 index 00000000..0668497e --- /dev/null +++ b/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 diff --git a/abipy/data/runs/managers/vega_manager.yml b/abipy/data/runs/managers/vega_manager.yml new file mode 100644 index 00000000..4fdee7e4 --- /dev/null +++ b/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 diff --git a/abipy/data/runs/zenobe_new_manager.yml b/abipy/data/runs/managers/zenobe_manager.yml similarity index 98% rename from abipy/data/runs/zenobe_new_manager.yml rename to abipy/data/runs/managers/zenobe_manager.yml index 8e6a3bda..10b6962b 100644 --- a/abipy/data/runs/zenobe_new_manager.yml +++ b/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 diff --git a/abipy/data/runs/taskmanager.yml b/abipy/data/runs/taskmanager.yml index c4c7c18c..5c5871c9 100644 --- a/abipy/data/runs/taskmanager.yml +++ b/abipy/data/runs/taskmanager.yml @@ -1,44 +1,43 @@ --- #host: gmac -qtype: shell -mpi_runner: mpirun -pre_run: "source ~/env.sh" -shell_env: - 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 -##omp_env: -# OMP_NUM_THREADS: 4 +#qtype: shell +#mpi_runner: mpirun +#pre_run: "source ~/env.sh" +#shell_env: +# 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 +###omp_env: +## OMP_NUM_THREADS: 4 policy: autoparal: 1 max_ncpus: 2 - #automemory: 0 - #mode: aggressive - #condition: {omp_ncpus: {$eq: 2}}} - #condition: {mem_per_cpu: {$le: 10}}} - #condition: {efficiency: {$gt: 0.99}}} - #condition: {$and: [ {efficiency: {$gt: 0.99}}, {tot_ncpus: {$divisible: 2}} ]} +# #automemory: 0 +# #mode: aggressive +# #condition: {omp_ncpus: {$eq: 2}}} +# #condition: {mem_per_cpu: {$le: 10}}} +# #condition: {efficiency: {$gt: 0.99}}} +# #condition: {$and: [ {efficiency: {$gt: 0.99}}, {tot_ncpus: {$divisible: 2}} ]} #qtype: shell -#qadapters: -# - priority: 1 -# queue: -# qname: gmac -# qtype: shell -# job: -# mpi_runner: mpirun -# pre_run: -# - source ~/env.sh -# - ulimit -# limits: -# min_cores: 1 -# max_cores: 2 -# timelimit: 1:00:00 -# hardware: -# num_nodes: 1 -# sockets_per_node: 1 -# cores_per_socket: 2 -# mem_per_node: 4 Gb -# # Optional -# #condition: {"$eq": {omp_threads: 2}} +qadapters: + - priority: 1 + queue: + qname: gmac + qtype: shell + job: + mpi_runner: mpirun + pre_run: + - source ~/env.sh + limits: + min_cores: 1 + max_cores: 2 + timelimit: 1:00:00 + hardware: + num_nodes: 1 + sockets_per_node: 1 + cores_per_socket: 2 + mem_per_node: 4 Gb + # Optional + #condition: {"$eq": {omp_threads: 2}} #db_connector: # enabled: no # database: abinit