diff --git a/doc/Section_accelerate.html b/doc/Section_accelerate.html index 4de4fa10fe..b8820538d1 100644 --- a/doc/Section_accelerate.html +++ b/doc/Section_accelerate.html @@ -644,7 +644,10 @@ settings appropriate to your system.
Additional input script requirements to run styles with a cuda suffix are as follows:
-make yes-kokkos # install the KOKKOS package make g++ OMP=yes # build with OpenMP, no CUDA-
mpirun -np 12 lmp_g++ -k off < in.lj # MPI-only mode with no Kokkos -mpirun -np 12 lmp_g++ -sf kk < in.lj # MPI-only mode with Kokkos +mpirun -np 12 lmp_g++ < in.lj # MPI-only mode with no Kokkos +mpirun -np 12 lmp_g++ -k on -sf kk < in.lj # MPI-only mode with Kokkos mpirun -np 1 lmp_g++ -k on t 12 -sf kk < in.lj # one MPI task, 12 threads mpirun -np 2 lmp_g++ -k on t 6 -sf kk < in.lj # two MPI tasks, 6 threads/task@@ -825,8 +828,7 @@ section of the manual.Here are common options to use:
-
-cuda on/off
Explicitly enable or disable CUDA support, as provided by the -USER-CUDA package. If LAMMPS is built with this package, as described -above in Section 2.3, then by default LAMMPS will run in -CUDA mode. If this switch is set to "off", then it will not, even if -it was built with the USER-CUDA package, which means you can run -standard LAMMPS or with the GPU package for testing or benchmarking -purposes. The only reason to set the switch to "on", is to check if -LAMMPS was built with the USER-CUDA package, since an error will be -generated if it was not. +USER-CUDA package. Even if LAMMPS is built with this package, as +described above in Section 2.3, this switch must be set to +enable running with the CUDA-enhanced styles the package provides. If +the switch is not set (the default), LAMMPS will operate as if the +USER-CUDA package were not installed; i.e. you can run standard LAMMPS +or with the GPU package, for testing or benchmarking purposes.
-echo style@@ -1204,16 +1202,14 @@ used.
-kokkos on/off keyword/value ...-
Explicitly enable or disable Kokkos support, as provided by the KOKKOS -package. If LAMMPS is built with this package, as described above in -Section 2.3, then by default LAMMPS will run in Kokkos -mode. If this switch is set to "off", then it will not, even if it -was built with the KOKKOS package, which means you can run standard -LAMMPS styles or use styles enhanced by other acceleration packages, -such as the GPU or USER-CUDA or USER-OMP packages, for testing or -benchmarking purposes. The only reason to set the switch to "on", is -to check if LAMMPS was built with the KOKKOS package, since an error -will be generated if it was not. +
Explicitly enable or disable KOKKOS support, as provided by the KOKKOS +package. Even if LAMMPS is built with this package, as described +above in Section 2.3, this switch must be set to enable +running with the KOKKOS-enhanced styles the package provides. If the +switch is not set (the default), LAMMPS will operate as if the KOKKOS +package were not installed; i.e. you can run standard LAMMPS or with +the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking +purposes.
Additional optional keyword/value pairs can be specified which determine how Kokkos will use the underlying hardware on your diff --git a/doc/Section_start.txt b/doc/Section_start.txt index 616dfae549..46a01d736f 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -1157,14 +1157,12 @@ Here are the details on the options: -cuda on/off :pre Explicitly enable or disable CUDA support, as provided by the -USER-CUDA package. If LAMMPS is built with this package, as described -above in "Section 2.3"_#start_3, then by default LAMMPS will run in -CUDA mode. If this switch is set to "off", then it will not, even if -it was built with the USER-CUDA package, which means you can run -standard LAMMPS or with the GPU package for testing or benchmarking -purposes. The only reason to set the switch to "on", is to check if -LAMMPS was built with the USER-CUDA package, since an error will be -generated if it was not. +USER-CUDA package. Even if LAMMPS is built with this package, as +described above in "Section 2.3"_#start_3, this switch must be set to +enable running with the CUDA-enhanced styles the package provides. If +the switch is not set (the default), LAMMPS will operate as if the +USER-CUDA package were not installed; i.e. you can run standard LAMMPS +or with the GPU package, for testing or benchmarking purposes. -echo style :pre @@ -1198,16 +1196,14 @@ used. -kokkos on/off keyword/value ... :pre -Explicitly enable or disable Kokkos support, as provided by the KOKKOS -package. If LAMMPS is built with this package, as described above in -"Section 2.3"_#start_3, then by default LAMMPS will run in Kokkos -mode. If this switch is set to "off", then it will not, even if it -was built with the KOKKOS package, which means you can run standard -LAMMPS styles or use styles enhanced by other acceleration packages, -such as the GPU or USER-CUDA or USER-OMP packages, for testing or -benchmarking purposes. The only reason to set the switch to "on", is -to check if LAMMPS was built with the KOKKOS package, since an error -will be generated if it was not. +Explicitly enable or disable KOKKOS support, as provided by the KOKKOS +package. Even if LAMMPS is built with this package, as described +above in "Section 2.3"_#start_3, this switch must be set to enable +running with the KOKKOS-enhanced styles the package provides. If the +switch is not set (the default), LAMMPS will operate as if the KOKKOS +package were not installed; i.e. you can run standard LAMMPS or with +the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking +purposes. Additional optional keyword/value pairs can be specified which determine how Kokkos will use the underlying hardware on your