DL_MESO is a general purpose mesoscale simulation package which supports both Lattice Boltzmann Equation (LBE) and Dissipative Particle Dynamics (DPD) methods.<\/p>\n
Version 2.8 is now available. It was compiled with Intel 18 compilers. It has additional DPD executables which can be run on GPU. All utilities are also available.<\/p>\n
The java interface is not available.<\/p>\n
Whilst the software is free for academic usage there are limitations within the DL_MESO license agreement<\/a> which must be strictly adhered to by users. All users who wish to use the software must request access to the ‘dlmeso’ unix group. A copy of the full license is also available on the CSF in There is no access to the source code on the CSF.<\/p>\n Overview DL_MESO is a general purpose mesoscale simulation package which supports both Lattice Boltzmann Equation (LBE) and Dissipative Particle Dynamics (DPD) methods. Version 2.8 is now available. It was compiled with Intel 18 compilers. It has additional DPD executables which can be run on GPU. All utilities are also available. The java interface is not available. Restrictions on use Whilst the software is free for academic usage there are limitations within the DL_MESO license agreement.. Read more »<\/a><\/p>\n","protected":false},"author":14,"featured_media":0,"parent":49,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-1391","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/pages\/1391","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/users\/14"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/comments?post=1391"}],"version-history":[{"count":16,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/pages\/1391\/revisions"}],"predecessor-version":[{"id":1407,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/pages\/1391\/revisions\/1407"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/pages\/49"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf4\/wp-json\/wp\/v2\/media?parent=1391"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}$dlmeso_home\/$dlmeso_ver\/LICENCE<\/code>. Important points to note are:<\/p>\n\n
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\n Executable<\/strong><\/td>\n Simulation<\/strong><\/td>\n<\/tr>\n \n slbe.exe<\/td>\n Serial LBE<\/td>\n<\/tr>\n \n plbe.exe<\/td>\n Parallel LBE (uses MPI – single and multi-node jobs)<\/td>\n<\/tr>\n \n sdpd.exe<\/td>\n Serial DPD<\/td>\n<\/tr>\n \n pdpd.exe<\/td>\n Parallel DPD (uses MPI – single and multi-node jobs)<\/td>\n<\/tr>\n \n pdpd-omp.exe<\/td>\n Parallel DPD (uses OpenMP – single-node multi-threaded jobs)<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n Example Batch Jobs<\/h2>\n
Serial Batch job examples<\/h2>\n
Serial LBE batch job submission<\/h3>\n
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jobscript<\/code>:<\/li>\n<\/ul>\n\r\n#!\/bin\/bash --login\r\n#SBATCH -n 1\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nslbe.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nSerial DPD batch job submission<\/h3>\n
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jobscript<\/code>:<\/li>\n<\/ul>\n\r\n#!\/bin\/bash --login\r\n#SBATCH -n 1\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nsdpd.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nParallel Batch job examples<\/h2>\n
It is highly recommended that you run scaling tests on 2,4,6,8,10,12,16,18,20,22,24….40 cores before moving on to running larger multinode jobs to see how well your job performs as the number of cores increases.<\/h3>\n
Parallel LBE multicore batch job submission – 2 to 40 cores using MPI<\/h3>\n
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jobscript<\/code> and asking for 6 cores:<\/li>\n<\/ul>\n\r\n#!\/bin\/bash --login\r\n#SBATCH -p multicore # (or --partition=) One compute node will be used\r\n#SBATCH -n 6 # (or --ntasks=) Use 6cores on a single node (can be 2 to 40)\r\n # The $SLURM_NTASKS variable will be set to this value.\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nmpirun -n $SLURM_NTASKS plbe.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nParallel LBE multinode batch job submission – 80 to 200 cores using MPI<\/h3>\n
\r\n#!\/bin\/bash --login\r\n#SBATCH -p multinode # (or --partition=) \r\n#SBATCH -N 2 # (or --nodes=) 2 or more. The jobs uses all 40 cores on each node.\r\n#SBATCH -n 80 # (or --ntasks=) 80 or more - the TOTAL number of tasks in your job.\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nmpirun -n $SLURM_NTASKS plbe.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nParallel DPD multicore batch job submission – 2 to 40 cores using MPI<\/h3>\n
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jobscript<\/code> and asking for 12 cores:<\/li>\n<\/ul>\n\r\n#!\/bin\/bash --login\r\n#SBATCH -p multicore # (or --partition=) One compute node will be used\r\n#SBATCH -n 6 # (or --ntasks=) Use 6cores on a single node (can be 2 to 40)\r\n # The $SLURM_NTASKS variable will be set to this value.\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nmpirun -n $SLURM_NTASKS pdpd.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nParallel DPD multinode batch job submission – 80 to 200 cores using MPI<\/h3>\n
\r\n#!\/bin\/bash --login\r\n#SBATCH -p multinode # (or --partition=) \r\n#SBATCH -N 2 # (or --nodes=) 2 or more. The jobs uses all 40 cores on each node.\r\n#SBATCH -n 80 # (or --ntasks=) 80 or more - the TOTAL number of tasks in your job.\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nmpirun -n $SLURM_NTASKS pdpd.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nParallel DPD multicore batch job submission – 2 to 40 cores using OpenMP<\/h3>\n
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jobscript<\/code> and asking for 12 cores:<\/li>\n<\/ul>\n\r\n#!\/bin\/bash --login\r\n#SBATCH -p multicore # (or --partition=) One compute node will be used\r\n#SBATCH -n 6 # (or --ntasks=) Use 6cores on a single node (can be 2 to 40)\r\n # The $SLURM_NTASKS variable will be set to this value.\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nexport OMP_NUM_THREADS=$SLURM_NTASKS\r\npdpd-omp.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nParallel DPD multinode batch job submission – 80 to 200 cores using OpenMP<\/h3>\n
\r\n#!\/bin\/bash --login\r\n#SBATCH -p multinode # (or --partition=) \r\n#SBATCH -N 2 # (or --nodes=) 2 or more. The jobs uses all 40 cores on each node.\r\n#SBATCH -n 80 # (or --ntasks=) 80 or more - the TOTAL number of tasks in your job.\r\n\r\nmodule load apps\/intel-2024.2\/dl_meso\/2.8\r\n\r\nexport OMP_NUM_THREADS=$SLURM_NTASKS\r\npdpd-omp.exe\r\n<\/pre>\n
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qsub jobscript<\/code><\/li>\n<\/ul>\nParallel DPD GPU batch job submission<\/h3>\n
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Further info<\/h2>\n
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$dlmeso_home\/$dlmeso_ver\/DEMO<\/code> – please see the User Manual for further details.<\/li>\n$dlmeso_home\/$dlmeso_ver\/MAN\/USRMAN.pdf<\/code><\/li>\n<\/ul>\nUpdates<\/h2>\n","protected":false},"excerpt":{"rendered":"