git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12065 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
@ -644,7 +644,10 @@ settings appropriate to your system.
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<P>Additional input script requirements to run styles with a <I>cuda</I>
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suffix are as follows:
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</P>
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<UL><LI>To invoke specific styles from the USER-CUDA package, you can either
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<UL><LI>The <A HREF = "Section_start.html#start_7">-cuda on command-line switch</A> must be
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used when launching LAMMPS to enable the USER-CUDA package.
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<LI>To invoke specific styles from the USER-CUDA package, you can either
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append "cuda" to the style name (e.g. pair_style lj/cut/cuda), or use
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the <A HREF = "Section_start.html#start_7">-suffix command-line switch</A>, or use
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the <A HREF = "suffix.html">suffix</A> command. One exception is that the
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@ -751,8 +754,8 @@ Details of the various options are discussed below.
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<PRE>make yes-kokkos # install the KOKKOS package
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make g++ OMP=yes # build with OpenMP, no CUDA
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</PRE>
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<PRE>mpirun -np 12 lmp_g++ -k off < in.lj # MPI-only mode with no Kokkos
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mpirun -np 12 lmp_g++ -sf kk < in.lj # MPI-only mode with Kokkos
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<PRE>mpirun -np 12 lmp_g++ < in.lj # MPI-only mode with no Kokkos
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mpirun -np 12 lmp_g++ -k on -sf kk < in.lj # MPI-only mode with Kokkos
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mpirun -np 1 lmp_g++ -k on t 12 -sf kk < in.lj # one MPI task, 12 threads
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mpirun -np 2 lmp_g++ -k on t 6 -sf kk < in.lj # two MPI tasks, 6 threads/task
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</PRE>
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@ -825,8 +828,7 @@ section</A> of the manual.
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</P>
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<P>Here are common options to use:
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</P>
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<UL><LI>-k off : runs an executable built with the KOKKOS pacakage, as
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if Kokkos were not installed.
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<UL><LI>-k on : required to run any KOKKOS-enabled style
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<LI>-sf kk : enables automatic use of Kokkos versions of atom, pair,
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fix, compute styles if they exist. This can also be done with more
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@ -640,12 +640,15 @@ settings appropriate to your system.
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Additional input script requirements to run styles with a {cuda}
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suffix are as follows:
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The "-cuda on command-line switch"_Section_start.html#start_7 must be
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used when launching LAMMPS to enable the USER-CUDA package. :ulb,l
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To invoke specific styles from the USER-CUDA package, you can either
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append "cuda" to the style name (e.g. pair_style lj/cut/cuda), or use
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the "-suffix command-line switch"_Section_start.html#start_7, or use
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the "suffix"_suffix.html command. One exception is that the
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"kspace_style pppm/cuda"_kspace_style.html command has to be requested
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explicitly. :ulb,l
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explicitly. :l
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To use the USER-CUDA package with its default settings, no additional
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command is needed in your input script. This is because when LAMMPS
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@ -747,8 +750,8 @@ Details of the various options are discussed below.
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make yes-kokkos # install the KOKKOS package
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make g++ OMP=yes # build with OpenMP, no CUDA :pre
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mpirun -np 12 lmp_g++ -k off < in.lj # MPI-only mode with no Kokkos
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mpirun -np 12 lmp_g++ -sf kk < in.lj # MPI-only mode with Kokkos
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mpirun -np 12 lmp_g++ < in.lj # MPI-only mode with no Kokkos
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mpirun -np 12 lmp_g++ -k on -sf kk < in.lj # MPI-only mode with Kokkos
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mpirun -np 1 lmp_g++ -k on t 12 -sf kk < in.lj # one MPI task, 12 threads
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mpirun -np 2 lmp_g++ -k on t 6 -sf kk < in.lj # two MPI tasks, 6 threads/task :pre
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@ -821,8 +824,7 @@ section"_Section_start.html#start_7 of the manual.
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Here are common options to use:
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-k off : runs an executable built with the KOKKOS pacakage, as
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if Kokkos were not installed. :ulb,l
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-k on : required to run any KOKKOS-enabled style :ulb,l
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-sf kk : enables automatic use of Kokkos versions of atom, pair,
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fix, compute styles if they exist. This can also be done with more
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@ -1163,14 +1163,12 @@ mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none < in.alloy
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<PRE>-cuda on/off
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</PRE>
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<P>Explicitly enable or disable CUDA support, as provided by the
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USER-CUDA package. If LAMMPS is built with this package, as described
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above in <A HREF = "#start_3">Section 2.3</A>, then by default LAMMPS will run in
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CUDA mode. If this switch is set to "off", then it will not, even if
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it was built with the USER-CUDA package, which means you can run
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standard LAMMPS or with the GPU package for testing or benchmarking
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purposes. The only reason to set the switch to "on", is to check if
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LAMMPS was built with the USER-CUDA package, since an error will be
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generated if it was not.
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USER-CUDA package. Even if LAMMPS is built with this package, as
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described above in <A HREF = "#start_3">Section 2.3</A>, this switch must be set to
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enable running with the CUDA-enhanced styles the package provides. If
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the switch is not set (the default), LAMMPS will operate as if the
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USER-CUDA package were not installed; i.e. you can run standard LAMMPS
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or with the GPU package, for testing or benchmarking purposes.
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</P>
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<PRE>-echo style
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</PRE>
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@ -1204,16 +1202,14 @@ used.
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</P>
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<PRE>-kokkos on/off keyword/value ...
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</PRE>
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<P>Explicitly enable or disable Kokkos support, as provided by the KOKKOS
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package. If LAMMPS is built with this package, as described above in
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<A HREF = "#start_3">Section 2.3</A>, then by default LAMMPS will run in Kokkos
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mode. If this switch is set to "off", then it will not, even if it
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was built with the KOKKOS package, which means you can run standard
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LAMMPS styles or use styles enhanced by other acceleration packages,
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such as the GPU or USER-CUDA or USER-OMP packages, for testing or
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benchmarking purposes. The only reason to set the switch to "on", is
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to check if LAMMPS was built with the KOKKOS package, since an error
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will be generated if it was not.
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<P>Explicitly enable or disable KOKKOS support, as provided by the KOKKOS
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package. Even if LAMMPS is built with this package, as described
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above in <A HREF = "#start_3">Section 2.3</A>, this switch must be set to enable
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running with the KOKKOS-enhanced styles the package provides. If the
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switch is not set (the default), LAMMPS will operate as if the KOKKOS
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package were not installed; i.e. you can run standard LAMMPS or with
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the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking
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purposes.
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</P>
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<P>Additional optional keyword/value pairs can be specified which
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determine how Kokkos will use the underlying hardware on your
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@ -1157,14 +1157,12 @@ Here are the details on the options:
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-cuda on/off :pre
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Explicitly enable or disable CUDA support, as provided by the
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USER-CUDA package. If LAMMPS is built with this package, as described
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above in "Section 2.3"_#start_3, then by default LAMMPS will run in
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CUDA mode. If this switch is set to "off", then it will not, even if
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it was built with the USER-CUDA package, which means you can run
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standard LAMMPS or with the GPU package for testing or benchmarking
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purposes. The only reason to set the switch to "on", is to check if
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LAMMPS was built with the USER-CUDA package, since an error will be
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generated if it was not.
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USER-CUDA package. Even if LAMMPS is built with this package, as
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described above in "Section 2.3"_#start_3, this switch must be set to
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enable running with the CUDA-enhanced styles the package provides. If
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the switch is not set (the default), LAMMPS will operate as if the
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USER-CUDA package were not installed; i.e. you can run standard LAMMPS
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or with the GPU package, for testing or benchmarking purposes.
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-echo style :pre
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@ -1198,16 +1196,14 @@ used.
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-kokkos on/off keyword/value ... :pre
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Explicitly enable or disable Kokkos support, as provided by the KOKKOS
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package. If LAMMPS is built with this package, as described above in
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"Section 2.3"_#start_3, then by default LAMMPS will run in Kokkos
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mode. If this switch is set to "off", then it will not, even if it
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was built with the KOKKOS package, which means you can run standard
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LAMMPS styles or use styles enhanced by other acceleration packages,
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such as the GPU or USER-CUDA or USER-OMP packages, for testing or
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benchmarking purposes. The only reason to set the switch to "on", is
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to check if LAMMPS was built with the KOKKOS package, since an error
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will be generated if it was not.
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Explicitly enable or disable KOKKOS support, as provided by the KOKKOS
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package. Even if LAMMPS is built with this package, as described
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above in "Section 2.3"_#start_3, this switch must be set to enable
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running with the KOKKOS-enhanced styles the package provides. If the
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switch is not set (the default), LAMMPS will operate as if the KOKKOS
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package were not installed; i.e. you can run standard LAMMPS or with
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the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking
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purposes.
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Additional optional keyword/value pairs can be specified which
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determine how Kokkos will use the underlying hardware on your
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