From 20099c92a22852b9dbc281d19a807c3827b80f4b Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu, 20 Apr 2023 09:48:03 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- eiger.cscs.ch/codes-installed/qe-7.0-hp@eiger.yaml | 9 +++++---- eiger.cscs.ch/codes-installed/qe-7.0-ph@eiger.yaml | 9 +++++---- eiger.cscs.ch/codes-installed/qe-7.0-projwfc@eiger.yaml | 9 +++++---- eiger.cscs.ch/codes-installed/qe-7.0-pw@eiger.yaml | 9 +++++---- eiger.cscs.ch/codes-installed/qe-7.0-q2r@eiger.yaml | 9 +++++---- eiger.cscs.ch/multicore-mr0/computer-configure.yaml | 1 + eiger.cscs.ch/multicore-mr0/computer-setup.yaml | 3 ++- 7 files changed, 28 insertions(+), 21 deletions(-) diff --git a/eiger.cscs.ch/codes-installed/qe-7.0-hp@eiger.yaml b/eiger.cscs.ch/codes-installed/qe-7.0-hp@eiger.yaml index 45841bf..e768909 100644 --- a/eiger.cscs.ch/codes-installed/qe-7.0-hp@eiger.yaml +++ b/eiger.cscs.ch/codes-installed/qe-7.0-hp@eiger.yaml @@ -1,11 +1,12 @@ +--- label: qe-7.0-hp description: Quantum ESPRESSO hp.x v7.0 Compiled with CpeIntel v21.12 default_calc_job_plugin: quantumespresso.hp computer: eiger filepath_executable: /apps/pilatus/UES/jenkins/1.4.0/software/QuantumESPRESSO/7.0-cpeIntel-21.12/bin/hp.x -prepend_text: |+ - module load cpeIntel - module load QuantumESPRESSO/7.0 +prepend_text: | + module load cpeIntel + module load QuantumESPRESSO/7.0 - export OMP_NUM_THREADS=1 + export OMP_NUM_THREADS=1 append_text: ' ' diff --git a/eiger.cscs.ch/codes-installed/qe-7.0-ph@eiger.yaml b/eiger.cscs.ch/codes-installed/qe-7.0-ph@eiger.yaml index 1cb7993..66e5731 100644 --- a/eiger.cscs.ch/codes-installed/qe-7.0-ph@eiger.yaml +++ b/eiger.cscs.ch/codes-installed/qe-7.0-ph@eiger.yaml @@ -1,11 +1,12 @@ +--- label: qe-7.0-ph description: Quantum ESPRESSO ph.x v7.0 Compiled with CpeIntel v21.12 default_calc_job_plugin: quantumespresso.ph computer: eiger filepath_executable: /apps/pilatus/UES/jenkins/1.4.0/software/QuantumESPRESSO/7.0-cpeIntel-21.12/bin/ph.x -prepend_text: |+ - module load cpeIntel - module load QuantumESPRESSO/7.0 +prepend_text: | + module load cpeIntel + module load QuantumESPRESSO/7.0 - export OMP_NUM_THREADS=1 + export OMP_NUM_THREADS=1 append_text: ' ' diff --git a/eiger.cscs.ch/codes-installed/qe-7.0-projwfc@eiger.yaml b/eiger.cscs.ch/codes-installed/qe-7.0-projwfc@eiger.yaml index be3c423..8955d77 100644 --- a/eiger.cscs.ch/codes-installed/qe-7.0-projwfc@eiger.yaml +++ b/eiger.cscs.ch/codes-installed/qe-7.0-projwfc@eiger.yaml @@ -1,11 +1,12 @@ +--- label: qe-7.0-projwfc description: Quantum ESPRESSO projwfc.x v7.0 Compiled with CpeIntel v21.12 default_calc_job_plugin: quantumespresso.projwfc computer: eiger filepath_executable: /apps/pilatus/UES/jenkins/1.4.0/software/QuantumESPRESSO/7.0-cpeIntel-21.12/bin/projwfc.x -prepend_text: |+ - module load cpeIntel - module load QuantumESPRESSO/7.0 +prepend_text: | + module load cpeIntel + module load QuantumESPRESSO/7.0 - export OMP_NUM_THREADS=1 + export OMP_NUM_THREADS=1 append_text: ' ' diff --git a/eiger.cscs.ch/codes-installed/qe-7.0-pw@eiger.yaml b/eiger.cscs.ch/codes-installed/qe-7.0-pw@eiger.yaml index 1e65707..13a77ad 100644 --- a/eiger.cscs.ch/codes-installed/qe-7.0-pw@eiger.yaml +++ b/eiger.cscs.ch/codes-installed/qe-7.0-pw@eiger.yaml @@ -1,11 +1,12 @@ +--- label: qe-7.0-pw description: Quantum ESPRESSO pw.x v7.0 Compiled with CpeIntel v21.12 default_calc_job_plugin: quantumespresso.pw computer: eiger filepath_executable: /apps/pilatus/UES/jenkins/1.4.0/software/QuantumESPRESSO/7.0-cpeIntel-21.12/bin/pw.x -prepend_text: |+ - module load cpeIntel - module load QuantumESPRESSO/7.0 +prepend_text: | + module load cpeIntel + module load QuantumESPRESSO/7.0 - export OMP_NUM_THREADS=1 + export OMP_NUM_THREADS=1 append_text: ' ' diff --git a/eiger.cscs.ch/codes-installed/qe-7.0-q2r@eiger.yaml b/eiger.cscs.ch/codes-installed/qe-7.0-q2r@eiger.yaml index 5035f20..ca3f3d5 100644 --- a/eiger.cscs.ch/codes-installed/qe-7.0-q2r@eiger.yaml +++ b/eiger.cscs.ch/codes-installed/qe-7.0-q2r@eiger.yaml @@ -1,11 +1,12 @@ +--- label: qe-7.0-q2r description: Quantum ESPRESSO q2r.x v7.0 Compiled with CpeIntel v21.12 default_calc_job_plugin: quantumespresso.q2r computer: eiger filepath_executable: /apps/pilatus/UES/jenkins/1.4.0/software/QuantumESPRESSO/7.0-cpeIntel-21.12/bin/q2r.x -prepend_text: |+ - module load cpeIntel - module load QuantumESPRESSO/7.0 +prepend_text: | + module load cpeIntel + module load QuantumESPRESSO/7.0 - export OMP_NUM_THREADS=1 + export OMP_NUM_THREADS=1 append_text: ' ' diff --git a/eiger.cscs.ch/multicore-mr0/computer-configure.yaml b/eiger.cscs.ch/multicore-mr0/computer-configure.yaml index 1da6747..be17384 100644 --- a/eiger.cscs.ch/multicore-mr0/computer-configure.yaml +++ b/eiger.cscs.ch/multicore-mr0/computer-configure.yaml @@ -1,2 +1,3 @@ +--- safe_interval: 60 proxy_command: ssh -q -Y {username}@ela.cscs.ch netcat eiger.cscs.ch 22 diff --git a/eiger.cscs.ch/multicore-mr0/computer-setup.yaml b/eiger.cscs.ch/multicore-mr0/computer-setup.yaml index 49d3d65..175092e 100644 --- a/eiger.cscs.ch/multicore-mr0/computer-setup.yaml +++ b/eiger.cscs.ch/multicore-mr0/computer-setup.yaml @@ -1,3 +1,4 @@ +--- label: eiger hostname: eiger.cscs.ch description: Eiger is the production partition on Alps, the HPE Cray EX Supercomputer. @@ -8,7 +9,7 @@ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} mpiprocs_per_machine: 128 default_memory_per_machine: 255000000 -use_double_quotes: 'N' +use_double_quotes: N prepend_text: | ### computer prepend_text start ### #SBATCH --constraint=mc