From 1a5d065157c38290dafd2c92d916afced7cc9bad Mon Sep 17 00:00:00 2001 From: "Fernandez Vilanova, Lucas" Date: Wed, 10 Apr 2024 13:25:59 +0000 Subject: [PATCH 1/4] daint direct computer and code setup --- daint.cscs.ch/direct/codes/code_bash_ifs.yaml | 25 +++++++++++++++++++ daint.cscs.ch/direct/computer-setup.yaml | 11 ++++++++ 2 files changed, 36 insertions(+) create mode 100644 daint.cscs.ch/direct/codes/code_bash_ifs.yaml create mode 100644 daint.cscs.ch/direct/computer-setup.yaml diff --git a/daint.cscs.ch/direct/codes/code_bash_ifs.yaml b/daint.cscs.ch/direct/codes/code_bash_ifs.yaml new file mode 100644 index 0000000..0e0c090 --- /dev/null +++ b/daint.cscs.ch/direct/codes/code_bash_ifs.yaml @@ -0,0 +1,25 @@ +--- +label: check-{{model}}-data +description: '' +default_calc_job_plugin: core.shells +filepath_executable: '/users/lfernand/flexpart_processing_chain/scripts/check_{{model}}_data.bash' +prepend_text: | + module load daint-mc + module switch PrgEnv-cray PrgEnv-gnu + module switch gcc/11.2.0 gcc/9.3.0 + module load cray-netcdf + module use /store/empa/em05/shenne/easybuild/modules/all + module load ecCodes/2.19.0-CrayGNU-21.09 + export ECCODES_DEFINITION_PATH=$HOME/resources/eccodes_definitions_cosmo + export GRIB_API=/store/empa/em05/shenne/easybuild/software/ecCodes/2.19.0-CrayGNU-21.09 + export NETCDF=/opt/cray/pe/netcdf/4.7.4.0/GNU/8.2 +append_text: "" + +metadata: + template_variables: + model: + key_display: Model + type: list + options: + - cosmo + - ifs \ No newline at end of file diff --git a/daint.cscs.ch/direct/computer-setup.yaml b/daint.cscs.ch/direct/computer-setup.yaml new file mode 100644 index 0000000..ee33df9 --- /dev/null +++ b/daint.cscs.ch/direct/computer-setup.yaml @@ -0,0 +1,11 @@ +--- +label: daint-direct-106 +hostname: daint106.cscs.ch +description: Piz Daint supercomputer at CSCS Lugano, Switzerland, using the hybrid partition. +transport: core.ssh +scheduler: core.direct +shebang: '#!/bin/bash -l' +mpiprocs_per_machine: 72 +work_dir: /scratch/snx3000/{username}/aiida/ +mpirun_command: srun -n {tot_num_mpiprocs} +prepend_text: "" \ No newline at end of file From d4cd1644c3d652a95012a131aa284019dba400c2 Mon Sep 17 00:00:00 2001 From: "Fernandez Vilanova, Lucas" Date: Thu, 11 Apr 2024 14:21:37 +0000 Subject: [PATCH 2/4] r codes --- daint.cscs.ch/mc/codes/flexpart.yaml | 28 +++++++++++++++++++++ daint.cscs.ch/mc/codes/r_codes.yaml | 37 ++++++++++++++++++++++++++++ 2 files changed, 65 insertions(+) create mode 100644 daint.cscs.ch/mc/codes/flexpart.yaml create mode 100644 daint.cscs.ch/mc/codes/r_codes.yaml diff --git a/daint.cscs.ch/mc/codes/flexpart.yaml b/daint.cscs.ch/mc/codes/flexpart.yaml new file mode 100644 index 0000000..dcd05ca --- /dev/null +++ b/daint.cscs.ch/mc/codes/flexpart.yaml @@ -0,0 +1,28 @@ +--- +label: flexpart_{{model}} +description: "" +default_calc_job_plugin: flexpart.{{model}} +filepath_executable: /users/lfernand/flexpart/bin/FLEXPART_main_daint_GNUoptompncdfout + #/users/lfernand/flexpart_ifs_empa/bin/FLEXPART91IFS_omp +prepend_text: | + + export OMP_STACKSIZE=100M + module load daint-mc + module switch PrgEnv-cray PrgEnv-gnu + module switch gcc/11.2.0 gcc/9.3.0 + module load cray-netcdf + module use /store/empa/em05/shenne/easybuild/modules/all + module load ecCodes/2.19.0-CrayGNU-21.09 + export ECCODES_DEFINITION_PATH=${HOME}/resources/eccodes_definitions_cosmo + +append_text: '' + +metadata: + template_variables: + model: + key_display: model + type: list + options: + - flexpart + - ifs + diff --git a/daint.cscs.ch/mc/codes/r_codes.yaml b/daint.cscs.ch/mc/codes/r_codes.yaml new file mode 100644 index 0000000..d61da70 --- /dev/null +++ b/daint.cscs.ch/mc/codes/r_codes.yaml @@ -0,0 +1,37 @@ +--- +label: 'R-{{name}}' +description: '' +default_calc_job_plugin: r.{{name}} +filepath_executable: '/users/shenne/progs/Rflexpart/exec/FLEXPART.totalFootprint.only.R' + #collect.sensitivities.from.AiiDA.R' +computer: daint +prepend_text: | + #SBATCH --job-name=Rpost + #SBATCH --partition=prepost + #SBATCH --nodes=1 + #SBATCH --ntasks-per-core=2 + #SBATCH --ntasks-per-node=1 + #SBATCH --cpus-per-task=72 + #SBATCH --time=00:30:00 + + module load daint-mc + module switch PrgEnv-cray PrgEnv-gnu + module switch gcc/11.2.0 gcc/9.3.0 + module load cray-netcdf + module use /store/empa/em05/shenne/easybuild/modules/all + module load ecCodes/2.19.0-CrayGNU-21.09 + module load cray-R/3.6.3.1 + export R_LIBS=/users/shenne/R/x86_64-suse-linux-gnu-library/3.6 + export HDF5_USE_FILE_LOCKING=FALSE + +append_text: "" + + +metadata: + template_variables: + model: + key_display: model + type: list + options: + - post + - collect \ No newline at end of file From bac7086d75bbbb63c259e203c02bdbc48536fae2 Mon Sep 17 00:00:00 2001 From: LucR31 <94859181+LucR31@users.noreply.github.com> Date: Thu, 18 Apr 2024 07:06:09 +0000 Subject: [PATCH 3/4] change name --- .../direct/codes/{code_bash_ifs.yaml => flexpart_meteo.yaml} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename daint.cscs.ch/direct/codes/{code_bash_ifs.yaml => flexpart_meteo.yaml} (100%) diff --git a/daint.cscs.ch/direct/codes/code_bash_ifs.yaml b/daint.cscs.ch/direct/codes/flexpart_meteo.yaml similarity index 100% rename from daint.cscs.ch/direct/codes/code_bash_ifs.yaml rename to daint.cscs.ch/direct/codes/flexpart_meteo.yaml From 52801ab35b44296f9a6cd0b74a4afa129a33d50f Mon Sep 17 00:00:00 2001 From: LucR31 <94859181+LucR31@users.noreply.github.com> Date: Thu, 18 Apr 2024 07:20:27 +0000 Subject: [PATCH 4/4] direct codes only --- daint.cscs.ch/mc/codes/flexpart.yaml | 28 --------------------- daint.cscs.ch/mc/codes/r_codes.yaml | 37 ---------------------------- 2 files changed, 65 deletions(-) delete mode 100644 daint.cscs.ch/mc/codes/flexpart.yaml delete mode 100644 daint.cscs.ch/mc/codes/r_codes.yaml diff --git a/daint.cscs.ch/mc/codes/flexpart.yaml b/daint.cscs.ch/mc/codes/flexpart.yaml deleted file mode 100644 index dcd05ca..0000000 --- a/daint.cscs.ch/mc/codes/flexpart.yaml +++ /dev/null @@ -1,28 +0,0 @@ ---- -label: flexpart_{{model}} -description: "" -default_calc_job_plugin: flexpart.{{model}} -filepath_executable: /users/lfernand/flexpart/bin/FLEXPART_main_daint_GNUoptompncdfout - #/users/lfernand/flexpart_ifs_empa/bin/FLEXPART91IFS_omp -prepend_text: | - - export OMP_STACKSIZE=100M - module load daint-mc - module switch PrgEnv-cray PrgEnv-gnu - module switch gcc/11.2.0 gcc/9.3.0 - module load cray-netcdf - module use /store/empa/em05/shenne/easybuild/modules/all - module load ecCodes/2.19.0-CrayGNU-21.09 - export ECCODES_DEFINITION_PATH=${HOME}/resources/eccodes_definitions_cosmo - -append_text: '' - -metadata: - template_variables: - model: - key_display: model - type: list - options: - - flexpart - - ifs - diff --git a/daint.cscs.ch/mc/codes/r_codes.yaml b/daint.cscs.ch/mc/codes/r_codes.yaml deleted file mode 100644 index d61da70..0000000 --- a/daint.cscs.ch/mc/codes/r_codes.yaml +++ /dev/null @@ -1,37 +0,0 @@ ---- -label: 'R-{{name}}' -description: '' -default_calc_job_plugin: r.{{name}} -filepath_executable: '/users/shenne/progs/Rflexpart/exec/FLEXPART.totalFootprint.only.R' - #collect.sensitivities.from.AiiDA.R' -computer: daint -prepend_text: | - #SBATCH --job-name=Rpost - #SBATCH --partition=prepost - #SBATCH --nodes=1 - #SBATCH --ntasks-per-core=2 - #SBATCH --ntasks-per-node=1 - #SBATCH --cpus-per-task=72 - #SBATCH --time=00:30:00 - - module load daint-mc - module switch PrgEnv-cray PrgEnv-gnu - module switch gcc/11.2.0 gcc/9.3.0 - module load cray-netcdf - module use /store/empa/em05/shenne/easybuild/modules/all - module load ecCodes/2.19.0-CrayGNU-21.09 - module load cray-R/3.6.3.1 - export R_LIBS=/users/shenne/R/x86_64-suse-linux-gnu-library/3.6 - export HDF5_USE_FILE_LOCKING=FALSE - -append_text: "" - - -metadata: - template_variables: - model: - key_display: model - type: list - options: - - post - - collect \ No newline at end of file