Commit cdb6ec74 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

reverse the pre-processor logic of the LRT mode define 

with this change, the USER-INTEL package can be installed and
compiled without having to alter makefiles for adding -lpthread.
All "intel optimized" makefiles have been updated to have the
LRT feature enabled. This change will allow us to include the
USER-INTEL package in several automated testing configurations
and thus allows to detect incompatibilities and compilation issus faster.
parent aad8cd10

doc/src/accelerate_intel.txt

+8 −4
Original line number Diff line number Diff line
@@ -361,10 +361,14 @@ intel"_package.html command that can improve performance when using 
"PPPM"_kspace_style.html for long-range electrostatics on processors

with SMT. It generates an extra pthread for each MPI task. The thread

is dedicated to performing some of the PPPM calculations and MPI

communications. On Intel Xeon Phi x200 series CPUs, this will likely

always improve performance, even on a single node. On Intel Xeon

processors, using this mode might result in better performance when

using multiple nodes, depending on the machine. To use this mode,

communications. This feature requires setting the preprocessor flag

-DLMP_INTEL_USELRT in the makefile when compiling LAMMPS. It is unset

in the default makefiles ({Makefile.mpi} and {Makefile.serial}) but

it is set in all makefiles tuned for the USER-INTEL package.  On Intel

Xeon Phi x200 series CPUs, the LRT feature will likely improve

performance, even on a single node. On Intel Xeon processors, using

this mode might result in better performance when using multiple nodes,

depending on the specific machine configuration. To enable LRT mode,

specify that the number of OpenMP threads is one less than would

normally be used for the run and add the "lrt yes" option to the "-pk"

command-line suffix or "package intel" command. For example, if a run

doc/src/package.txt

+2 −1
Original line number Diff line number Diff line
@@ -335,7 +335,8 @@ from the USER-INTEL package is not used, then the LRT setting is 
ignored and no extra threads are generated. Enabling LRT will replace

the "run_style"_run_style.html with the {verlet/lrt/intel} style that

is identical to the default {verlet} style aside from supporting the

LRT feature.

LRT feature. This feature requires setting the preprocessor flag

-DLMP_INTEL_USELRT in the makefile when compiling LAMMPS.



The {balance} keyword sets the fraction of "pair

style"_pair_style.html work offloaded to the coprocessor for split

src/MAKE/OPTIONS/Makefile.intel_coprocessor

+1 −1
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@@ -9,7 +9,7 @@ SHELL = /bin/sh 
CC =		mpiicpc 

MIC_OPT =       -qoffload-option,mic,compiler,"-fp-model fast=2 -mGLOB_default_function_attrs=\"gather_scatter_loop_unroll=4\""

CCFLAGS =	-g -O3 -qopenmp -DLMP_INTEL_OFFLOAD -DLAMMPS_MEMALIGN=64 \

                -xHost -fno-alias -ansi-alias -restrict \

                -xHost -fno-alias -ansi-alias -restrict -DLMP_INTEL_USELRT \

                -qoverride-limits $(MIC_OPT)

SHFLAGS =	-fPIC

DEPFLAGS =	-M

src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi

+1 −1
Original line number Diff line number Diff line
@@ -9,7 +9,7 @@ SHELL = /bin/sh 
CC =		mpiicpc 

OPTFLAGS =      -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits

CCFLAGS =	-qopenmp -DLAMMPS_MEMALIGN=64 -qno-offload \

                -fno-alias -ansi-alias -restrict $(OPTFLAGS)

                -fno-alias -ansi-alias -restrict $(OPTFLAGS) -DLMP_INTEL_USELRT

SHFLAGS =	-fPIC

DEPFLAGS =	-M

src/MAKE/OPTIONS/Makefile.intel_cpu_mpich

+1 −1
Original line number Diff line number Diff line
@@ -9,7 +9,7 @@ SHELL = /bin/sh 
CC =		mpicxx -cxx=icc

OPTFLAGS =      -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits

CCFLAGS =	-g -qopenmp -DLAMMPS_MEMALIGN=64 -no-offload \

                -fno-alias -ansi-alias -restrict $(OPTFLAGS)

                -fno-alias -ansi-alias -restrict $(OPTFLAGS) -DLMP_INTEL_USELRT

SHFLAGS =	-fPIC

DEPFLAGS =	-M

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