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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12484 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-09-11 15:49:12 +00:00
parent fb2b228ac9
commit 17a7fb2c98
6 changed files with 16 additions and 18 deletions
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2
doc/accelerate_intel.html
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@ -44,7 +44,7 @@ package is available.
<P>Here is a quick overview of how to use the USER-INTEL package <P>Here is a quick overview of how to use the USER-INTEL package
for CPU acceleration: for CPU acceleration:
</P> </P>
<UL><LI>specify these CCFLAGS in your Makefile.machine: -fopenmp, -DLAMMPS_MEMALIGN=64, and -restrict, -xHost <UL><LI>specify these CCFLAGS in your src/MAKE/Makefile.machine: -fopenmp, -DLAMMPS_MEMALIGN=64, -restrict, -xHost
<LI>specify -fopenmp with LINKFLAGS in your Makefile.machine <LI>specify -fopenmp with LINKFLAGS in your Makefile.machine
<LI>include the USER-INTEL package and (optionally) USER-OMP package and build LAMMPS <LI>include the USER-INTEL package and (optionally) USER-OMP package and build LAMMPS
<LI>if using the USER-OMP package, specify how many threads per MPI task to use <LI>if using the USER-OMP package, specify how many threads per MPI task to use

2
doc/accelerate_intel.txt
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@ -41,7 +41,7 @@ package is available.
Here is a quick overview of how to use the USER-INTEL package Here is a quick overview of how to use the USER-INTEL package
for CPU acceleration: for CPU acceleration:
specify these CCFLAGS in your Makefile.machine: -fopenmp, -DLAMMPS_MEMALIGN=64, and -restrict, -xHost specify these CCFLAGS in your src/MAKE/Makefile.machine: -fopenmp, -DLAMMPS_MEMALIGN=64, -restrict, -xHost
specify -fopenmp with LINKFLAGS in your Makefile.machine specify -fopenmp with LINKFLAGS in your Makefile.machine
include the USER-INTEL package and (optionally) USER-OMP package and build LAMMPS include the USER-INTEL package and (optionally) USER-OMP package and build LAMMPS
if using the USER-OMP package, specify how many threads per MPI task to use if using the USER-OMP package, specify how many threads per MPI task to use

11
doc/accelerate_omp.html
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@ -48,12 +48,11 @@ MPI task running on a CPU.
make yes-user-omp make yes-user-omp
make machine make machine
</PRE> </PRE>
<P>Your src/MAKE/Makefile.machine needs a flag for OpenMP support in both <P>The CCFLAGS setting in your src/MAKE/Makefile.machine needs "-fopenmp"
the CCFLAGS and LINKFLAGS variables. For GNU and Intel compilers, to add OpenMP support. This works for both the GNU and Intel
this flag is "-fopenmp". Without this flag the USER-OMP styles will compilers. Without this flag the USER-OMP styles will still be
still be compiled and work, but will not support multi-threading. compiled and work, but will not support multi-threading. For the
</P> Intel compilers the CCFLAGS setting also needs to include "-restrict".
<P><B>Run with the USER-OMP package from the command line:</B>
</P> </P>
<P>The mpirun or mpiexec command sets the total number of MPI tasks used <P>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 by LAMMPS (one or multiple per compute node) and the number of MPI

11
doc/accelerate_omp.txt
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@ -45,12 +45,11 @@ cd lammps/src
make yes-user-omp make yes-user-omp
make machine :pre make machine :pre
Your src/MAKE/Makefile.machine needs a flag for OpenMP support in both The CCFLAGS setting in your src/MAKE/Makefile.machine needs "-fopenmp"
the CCFLAGS and LINKFLAGS variables. For GNU and Intel compilers, to add OpenMP support. This works for both the GNU and Intel
this flag is "-fopenmp". Without this flag the USER-OMP styles will compilers. Without this flag the USER-OMP styles will still be
still be compiled and work, but will not support multi-threading. compiled and work, but will not support multi-threading. For the
Intel compilers the CCFLAGS setting also needs to include "-restrict".
[Run with the USER-OMP package from the command line:]
The mpirun or mpiexec command sets the total number of MPI tasks used 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 by LAMMPS (one or multiple per compute node) and the number of MPI

4
doc/accelerate_opt.html
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@ -42,8 +42,8 @@ input script.
make yes-opt make yes-opt
make machine make machine
</PRE> </PRE>
<P>No additional compile/link flags are needed in your Makefile.machine <P>If you are using Intel compilers, then the CCFLAGS setting in your
in src/MAKE. src/MAKE/Makefile.machine needs to include "-restrict".
</P> </P>
<P><B>Run with the OPT package from the command line:</B> <P><B>Run with the OPT package from the command line:</B>
</P> </P>

4
doc/accelerate_opt.txt
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@ -39,8 +39,8 @@ cd lammps/src
make yes-opt make yes-opt
make machine :pre make machine :pre
No additional compile/link flags are needed in your Makefile.machine If you are using Intel compilers, then the CCFLAGS setting in your
in src/MAKE. src/MAKE/Makefile.machine needs to include "-restrict".
[Run with the OPT package from the command line:] [Run with the OPT package from the command line:]