diff --git a/daint.cscs.ch/hybrid-s1141/computer-setup.yaml b/daint.cscs.ch/hybrid-s1141/computer-setup.yaml index 1155913..d4c9bcc 100644 --- a/daint.cscs.ch/hybrid-s1141/computer-setup.yaml +++ b/daint.cscs.ch/hybrid-s1141/computer-setup.yaml @@ -1,13 +1,11 @@ --- label: daint-hybrid-s1141 -hostname: daint.cscs.ch +hostname: daint.alps.cscs.ch description: Piz Daint supercomputer at CSCS Lugano, Switzerland, using the hybrid partition. Project s1141 -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm shebang: '#!/bin/bash -l' mpiprocs_per_machine: 12 -num_cores_per_mpiproc: 1 -queue_name: normal work_dir: /scratch/snx3000/{username}/aiida/ mpirun_command: srun -n {tot_num_mpiprocs} prepend_text: | diff --git a/daint.cscs.ch/hybrid/computer-setup.yaml b/daint.cscs.ch/hybrid/computer-setup.yaml index ba0a756..31c9b10 100644 --- a/daint.cscs.ch/hybrid/computer-setup.yaml +++ b/daint.cscs.ch/hybrid/computer-setup.yaml @@ -1,13 +1,11 @@ --- label: daint-hybrid -hostname: daint.cscs.ch +hostname: daint.alps.cscs.ch description: Piz Daint supercomputer at CSCS Lugano, Switzerland, using the hybrid partition. HyperThreading is off -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm shebang: '#!/bin/bash -l' mpiprocs_per_machine: 12 -num_cores_per_mpiproc: 1 -queue_name: normal work_dir: /scratch/snx3000/{username}/aiida/ mpirun_command: srun -n {tot_num_mpiprocs} prepend_text: | diff --git a/daint.cscs.ch/multicore-em01/computer-setup.yaml b/daint.cscs.ch/multicore-em01/computer-setup.yaml index c797d17..0b53e44 100644 --- a/daint.cscs.ch/multicore-em01/computer-setup.yaml +++ b/daint.cscs.ch/multicore-em01/computer-setup.yaml @@ -1,9 +1,9 @@ --- label: daint-mc-em01 -hostname: daint.cscs.ch +hostname: daint.alps.cscs.ch description: Piz Daint supercomputer at CSCS Lugano, Switzerland, multicore partition, em01 account. -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /scratch/snx3000/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/daint.cscs.ch/multicore/computer-setup.yaml b/daint.cscs.ch/multicore/computer-setup.yaml index 3fe52bf..fc3b7cc 100644 --- a/daint.cscs.ch/multicore/computer-setup.yaml +++ b/daint.cscs.ch/multicore/computer-setup.yaml @@ -1,9 +1,9 @@ --- label: daint-mc -hostname: daint.cscs.ch +hostname: daint.alps.cscs.ch description: Piz Daint supercomputer at CSCS Lugano, Switzerland, multicore partition. -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /scratch/snx3000/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/eiger.cscs.ch/multicore-mr0-debug/computer-setup.yaml b/eiger.cscs.ch/multicore-mr0-debug/computer-setup.yaml index ecfd7fb..6f036ad 100644 --- a/eiger.cscs.ch/multicore-mr0-debug/computer-setup.yaml +++ b/eiger.cscs.ch/multicore-mr0-debug/computer-setup.yaml @@ -1,9 +1,9 @@ --- label: eiger-mc-mr0-debug -hostname: eiger.cscs.ch +hostname: eiger.alps.cscs.ch description: Eiger is the production partition on Alps, the HPE Cray EX Supercomputer. -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /scratch/e1000/{username}/aiida/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/eiger.cscs.ch/multicore-mr0/computer-setup.yaml b/eiger.cscs.ch/multicore-mr0/computer-setup.yaml index ff46e0a..09edbca 100644 --- a/eiger.cscs.ch/multicore-mr0/computer-setup.yaml +++ b/eiger.cscs.ch/multicore-mr0/computer-setup.yaml @@ -1,9 +1,9 @@ --- label: eiger-mc-mr0 -hostname: eiger.cscs.ch +hostname: eiger.alps.cscs.ch description: Eiger is the production partition on Alps, the HPE Cray EX Supercomputer. -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /scratch/e1000/{username}/aiida/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/fidis.epfl.ch/fidis-serial/computer-setup.yaml b/fidis.epfl.ch/fidis-serial/computer-setup.yaml index fde722a..449e3e9 100644 --- a/fidis.epfl.ch/fidis-serial/computer-setup.yaml +++ b/fidis.epfl.ch/fidis-serial/computer-setup.yaml @@ -2,8 +2,8 @@ label: fidis-serial hostname: fidis.epfl.ch description: Fidis EPFL computer using serial partition -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /scratch/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/fidis.epfl.ch/fidis/computer-setup.yaml b/fidis.epfl.ch/fidis/computer-setup.yaml index 7014066..5396298 100644 --- a/fidis.epfl.ch/fidis/computer-setup.yaml +++ b/fidis.epfl.ch/fidis/computer-setup.yaml @@ -2,8 +2,8 @@ label: fidis hostname: fidis.epfl.ch description: fidis EPFL computer -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /scratch/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/imxgesrv1.epfl.ch/imxgesrv1/computer-setup.yaml b/imxgesrv1.epfl.ch/imxgesrv1/computer-setup.yaml index eb4247c..6b14a12 100644 --- a/imxgesrv1.epfl.ch/imxgesrv1/computer-setup.yaml +++ b/imxgesrv1.epfl.ch/imxgesrv1/computer-setup.yaml @@ -2,8 +2,8 @@ label: imxgesrv1 hostname: imxgesrv1.epfl.ch description: imxgesrv EPFL computer -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /exports/commonscratch/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/lsmosrv6/ch315/computer-setup.yaml b/lsmosrv6/ch315/computer-setup.yaml index f7cc1e2..7e73b65 100644 --- a/lsmosrv6/ch315/computer-setup.yaml +++ b/lsmosrv6/ch315/computer-setup.yaml @@ -2,8 +2,8 @@ label: ch315 hostname: lsmosrv6.epfl.ch description: Local server ch315 at LSMO -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /home/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/merlin.psi.ch/cpu/computer-setup.yaml b/merlin.psi.ch/cpu/computer-setup.yaml index 1569a26..a228ef9 100644 --- a/merlin.psi.ch/cpu/computer-setup.yaml +++ b/merlin.psi.ch/cpu/computer-setup.yaml @@ -2,8 +2,8 @@ label: merlin6 hostname: merlin-l-01.psi.ch description: Merlin6 HPC at PSI -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /shared-scratch/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/merlin.psi.ch/gpu/computer-setup.yaml b/merlin.psi.ch/gpu/computer-setup.yaml index 66487d6..1b10179 100644 --- a/merlin.psi.ch/gpu/computer-setup.yaml +++ b/merlin.psi.ch/gpu/computer-setup.yaml @@ -2,8 +2,8 @@ label: merlin6 hostname: merlin-l-01.psi.ch description: Merlin6 HPC at PSI -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm work_dir: /shared-scratch/{username}/aiida_run/ shebang: '#!/bin/bash' mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/paratera/tianhe-2/computer-setup.yaml b/paratera/tianhe-2/computer-setup.yaml index f886487..dd7f66f 100644 --- a/paratera/tianhe-2/computer-setup.yaml +++ b/paratera/tianhe-2/computer-setup.yaml @@ -2,8 +2,8 @@ label: paratera-th2 description: TianHe-2 supercomputer provided by paratera hostname: 119.90.38.52 -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm shebang: '#!/usr/bin/env bash' work_dir: /PARA/{username}/aiida mpirun_command: srun -n {tot_num_mpiprocs} diff --git a/tigu.empa.ch/tigu-mpirun/computer-setup.yaml b/tigu.empa.ch/tigu-mpirun/computer-setup.yaml index 415af2d..a5ad2e5 100644 --- a/tigu.empa.ch/tigu-mpirun/computer-setup.yaml +++ b/tigu.empa.ch/tigu-mpirun/computer-setup.yaml @@ -2,11 +2,10 @@ label: tigu-mpirun hostname: 10.128.1.11 description: Tigu computer at Empa. -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm shebang: '#!/bin/bash -l' mpiprocs_per_machine: 4 -queue_name: normal work_dir: /scratch/{username}/aiida/ mpirun_command: mpirun -np {tot_num_mpiprocs} prepend_text: | diff --git a/tigu.empa.ch/tigu/computer-setup.yaml b/tigu.empa.ch/tigu/computer-setup.yaml index fb0672a..931f054 100644 --- a/tigu.empa.ch/tigu/computer-setup.yaml +++ b/tigu.empa.ch/tigu/computer-setup.yaml @@ -2,11 +2,10 @@ label: tigu hostname: 10.128.1.11 description: Tigu computer at Empa. -transport: ssh -scheduler: slurm +transport: core.ssh +scheduler: core.slurm shebang: '#!/bin/bash -l' mpiprocs_per_machine: 4 -queue_name: normal work_dir: /scratch/{username}/aiida/ mpirun_command: srun prepend_text: |