The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode.
When using the USER-CUDA package, you must use exactly one MPI task per physical GPU. diff --git a/doc/accelerate_cuda.txt b/doc/accelerate_cuda.txt index d88094ecbf..70c9a8c31f 100644 --- a/doc/accelerate_cuda.txt +++ b/doc/accelerate_cuda.txt @@ -133,8 +133,8 @@ library. The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode. When using the USER-CUDA package, you must use exactly one MPI task per physical GPU. diff --git a/doc/accelerate_gpu.html b/doc/accelerate_gpu.html index d09eb331c8..e4a9091448 100644 --- a/doc/accelerate_gpu.html +++ b/doc/accelerate_gpu.html @@ -132,8 +132,8 @@ re-compiled and linked to the new GPU library.
The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode.
When using the GPU package, you cannot assign more than one GPU to a single MPI task. However multiple MPI tasks can share the same GPU, diff --git a/doc/accelerate_gpu.txt b/doc/accelerate_gpu.txt index e221e2342c..33bd167e33 100644 --- a/doc/accelerate_gpu.txt +++ b/doc/accelerate_gpu.txt @@ -129,8 +129,8 @@ re-compiled and linked to the new GPU library. The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode. When using the GPU package, you cannot assign more than one GPU to a single MPI task. However multiple MPI tasks can share the same GPU, diff --git a/doc/accelerate_intel.html b/doc/accelerate_intel.html index ea5bf80095..ec1548cdb3 100644 --- a/doc/accelerate_intel.html +++ b/doc/accelerate_intel.html @@ -117,8 +117,8 @@ higher is recommended.
The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode.
If LAMMPS was also built with the USER-OMP package, you need to choose how many OpenMP threads per MPI task will be used by the USER-OMP diff --git a/doc/accelerate_intel.txt b/doc/accelerate_intel.txt index c27e6063d9..804a02da2c 100644 --- a/doc/accelerate_intel.txt +++ b/doc/accelerate_intel.txt @@ -114,8 +114,8 @@ higher is recommended. The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode. If LAMMPS was also built with the USER-OMP package, you need to choose how many OpenMP threads per MPI task will be used by the USER-OMP diff --git a/doc/accelerate_kokkos.html b/doc/accelerate_kokkos.html index 4192df77c6..46fc7b62ff 100644 --- a/doc/accelerate_kokkos.html +++ b/doc/accelerate_kokkos.html @@ -177,8 +177,8 @@ double precision.
The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode.
When using KOKKOS built with host=OMP, you need to choose how many OpenMP threads per MPI task will be used (via the "-k" command-line diff --git a/doc/accelerate_kokkos.txt b/doc/accelerate_kokkos.txt index b8dbcd0e0d..f3f896c923 100644 --- a/doc/accelerate_kokkos.txt +++ b/doc/accelerate_kokkos.txt @@ -174,8 +174,8 @@ double precision. The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode. When using KOKKOS built with host=OMP, you need to choose how many OpenMP threads per MPI task will be used (via the "-k" command-line diff --git a/doc/accelerate_omp.html b/doc/accelerate_omp.html index e50d2d1627..a581a55419 100644 --- a/doc/accelerate_omp.html +++ b/doc/accelerate_omp.html @@ -56,8 +56,8 @@ Intel compilers the CCFLAGS setting also needs to include "-restrict".
The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode.
You need to choose how many threads per MPI task will be used by the USER-OMP package. Note that the product of MPI tasks * threads/task diff --git a/doc/accelerate_omp.txt b/doc/accelerate_omp.txt index 768c7061f3..8537398670 100644 --- a/doc/accelerate_omp.txt +++ b/doc/accelerate_omp.txt @@ -53,8 +53,8 @@ Intel compilers the CCFLAGS setting also needs to include "-restrict". The mpirun or mpiexec command sets the total number of MPI tasks used by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command does this via its -np -and -ppn switches. +tasks used per node. E.g. the mpirun command in MPICH does this via +its -np and -ppn switches. Ditto OpenMPI via -np and -npernode. You need to choose how many threads per MPI task will be used by the USER-OMP package. Note that the product of MPI tasks * threads/task diff --git a/doc/package.html b/doc/package.html index 65339504d0..7d625d292f 100644 --- a/doc/package.html +++ b/doc/package.html @@ -483,10 +483,10 @@ USER-OMP package. each MPI task. For example, if your system has nodes with dual quad-core processors, it has a total of 8 cores per node. You could use two MPI tasks per node (e.g. using the -ppn option of the mpirun -command), and set Nthreads = 4. This would use all 8 cores on each -node. Note that the product of MPI tasks * threads/task should not -exceed the physical number of cores (on a node), otherwise performance -will suffer. +command in MPICH or -npernode in OpenMPI), and set Nthreads = 4. +This would use all 8 cores on each node. Note that the product of MPI +tasks * threads/task should not exceed the physical number of cores +(on a node), otherwise performance will suffer.
Setting Nthread = 0 instructs LAMMPS to use whatever value is the default for the given OpenMP environment. This is usually determined diff --git a/doc/package.txt b/doc/package.txt index 4c1f56ab3b..6f383dfb83 100644 --- a/doc/package.txt +++ b/doc/package.txt @@ -482,10 +482,10 @@ The {Nthread} argument sets the number of OpenMP threads allocated for each MPI task. For example, if your system has nodes with dual quad-core processors, it has a total of 8 cores per node. You could use two MPI tasks per node (e.g. using the -ppn option of the mpirun -command), and set {Nthreads} = 4. This would use all 8 cores on each -node. Note that the product of MPI tasks * threads/task should not -exceed the physical number of cores (on a node), otherwise performance -will suffer. +command in MPICH or -npernode in OpenMPI), and set {Nthreads} = 4. +This would use all 8 cores on each node. Note that the product of MPI +tasks * threads/task should not exceed the physical number of cores +(on a node), otherwise performance will suffer. Setting {Nthread} = 0 instructs LAMMPS to use whatever value is the default for the given OpenMP environment. This is usually determined