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machines_FabNEPTUNE_user.yml
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machines_FabNEPTUNE_user.yml
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# This is the user personal configuration for job submission and execution for FabNEPTUNE plugin
# All given variable here will be override machine settings loaded from (a) FabSim3/deploy/machines.yml and (b) FabSim3/deploy/machines_user.yml
#
# Here, you can find some examples for pre-defined remote machines
# All env variable can be modified here and will overwrite setting in machines.yml and machines_user.yml
# -*- coding: utf-8 -*-
#
# This source file is part of the FabSim software toolkit, which is
# distributed under the BSD 3-Clause license.
# Please refer to LICENSE for detailed information regarding the licensing.
#
# This file contains FabSim definitions specific to FabNEPTUNE.
# authors:
# Kevin Bronik, Derek Groen, Ed Threlfall
required_py_packages: &PY_PKG ["easyvvuq"]
default:
# example :
# exe_file: "app.py"
# exe_prefix: "python3"
# or
# exe_file: "app.sh"
# exe_prefix: "bash"
# this env variables will be used in case of env.script=generic_app
# exe_file should be located inside the target config_files folder
exe_file: ""
exe_prefix: ""
FabNEPTUNE_params:
convection_input: "convection_Xd.xml"
convection_2d_input: "convection_2d.xml"
convection_3d_input: "convection_3d.xml"
sweep_dir_name: "SWEEP"
prevent_results_overwrite: "delete"
localhost:
convection_2d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
convection_3d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
FabNEPTUNE_params:
convection_input: "convection_Xd.xml"
convection_2d_input: "convection_2d.xml"
convection_3d_input: "convection_3d.xml"
sweep_dir_name: "SWEEP"
cores: 8
eagle_hidalgo:
# location of lmp_serial on the remote machine
convection_2d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
convection_3d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
cores: 1
# format days-hours:minutes:seconds
job_wall_time : "0-0:10:00"
partition_name: "fast"
py_pkg: *PY_PKG
modules:
# list of modules to be loaded on remote machine
loaded: ["python/3.7.3", "openmpi/4.0.0_gcc620"]
# list of modules to be unloaded on remote machine
unloaded: ["python"]
eagle_vecma:
# location of lmp_serial on the remote machine
convection_2d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
convection_3d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
cores: 28
# format days-hours:minutes:seconds
job_wall_time : "0-0:10:00"
partition_name: "fast"
modules:
# list of modules to be loaded on remote machine
loaded: ["openmpi/4.0.0_gcc620", "lammps/15Apr2020", "gromacs/2018_mpi", "namd", "amber"]
# list of modules to be unloaded on remote machine
unloaded: ["python"]
cirrus:
# location of lmp_serial on the remote machine
convection_2d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
convection_3d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
modules:
# list of modules to be loaded on remote machine
loaded: [ "anaconda/python3"]
archer2:
# location of lmp_serial on the remote machine
convection_2d_exec: "/mnt/lustre/a2fs-work2/work/e723/e723/kevinb/nektarpp/build/dist/bin/IncNavierStokesSolver"
convection_3d_exec: "/mnt/lustre/a2fs-work2/work/e723/e723/kevinb/nektarpp/build/dist/bin/IncNavierStokesSolver"
FabNEPTUNE_params:
convection_input: "convection_Xd.xml"
convection_2d_input: "convection_2d.xml"
convection_3d_input: "convection_3d.xml"
sweep_dir_name: "SWEEP"
# run_command_SCEMa: "srun --nodes=1 --ntasks=1 --oversubscribe --mem=1500M" <----- dask
run_command_remote: "srun --nodes=1 --ntasks=1 --exclusive --oversubscribe --mem=25000M"
# run_command_remote: "srun --distribution=block:block --hint=nomultithread"
# run_command_remote: "srun --nodes=1 --ntasks=1 --exclusive --oversubscribe --mem=5500M"
ohm:
# location of lmp_serial on the remote machine
convection_2d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
convection_3d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
cores: 2
# list of modules to be loaded on remote machine
# loaded: [ "fftw/2.1.5/intel-2015-update2" ]
Kathleen:
# location of lmp_serial on the remote machine
convection_2d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
convection_3d_exec: "/home/kevin/Desktop/nekk/nektar++/build/dist/bin/IncNavierStokesSolver"
cores: 28
modules:
# list of modules to be loaded on remote machine
loaded: [ "python/3.7.4"]