10 write lammps ace docs

.codespellignore

@@ -1,2 +1,3 @@
 cachable
-parma
+parma
+mater

.codespellrc

@@ -1,3 +1,3 @@
 [codespell]
-skip = ./docs/_build,./docs/_static,./docs/31_sparta/*.sh
-ignore-words-list = fom
+skip = ./docs/_build,./docs/_static,./docs/31_sparta/*.sh,./docs/32_lammpsACE/*.sh
+ignore-words-list = fom,Mater

.gitignore

@@ -43,6 +43,17 @@ output.log
 
 lisp
 
+# LAMMPS
+docs/32_lammpsACE/lammps
+docs/32_lammpsACE/kokkos-tools
+docs/32_lammpsACE/lammps_build.log
+docs/32_lammpsACE/kokkos_tools_build.log
+docs/32_lammpsACE/templatedir/kokkos_tools_env_elcapitan.sh
+docs/32_lammpsACE/templatedir/Cu-PBE-core-rep.ace
+docs/32_lammpsACE/templatedir/lammps_env_elcapitan.sh
+docs/32_lammpsACE/templatedir/lammps
+docs/32_lammpsACE/check*
+
 \#*#
 .[#]*[#]
 

docs/31_sparta/sparta.rst

@@ -426,12 +426,12 @@ A script (``sparta_clone.sh``) is provided to clone the SPARTA
 repository within the "sparta" folder. Instructions are provided on
 how to build SPARTA for the following systems:
 
-* Generic (see :ref:`BuildGeneric`)
+* Generic (see :ref:`BuildSpartaGeneric`)
 * Advanced Technology System 4 (ATS-4), also known as El Capitan (see
-  :ref:`BuildATS4`)
+  :ref:`BuildSpartaATS4`)
 
 
-.. _BuildGeneric:
+.. _BuildSpartaGeneric:
 
 Generic
 -------
@@ -440,7 +440,7 @@ Refer to SPARTA's [sparta-build]_ documentation for generic
 instructions.
 
 
-.. _BuildATS4:
+.. _BuildSpartaATS4:
 
 El Capitan
 ----------
@@ -547,12 +547,12 @@ Additional information:
 Single-node results from SPARTA are provided on the following systems:
 
 * Advanced Technology System 4 (ATS-4), also known as El Capitan (see
-  :ref:`ResultsATS4`)
+  :ref:`ResultsSpartaATS4`)
 
 Multi-node results from SPARTA are provided on the following system(s):
 
 * Advanced Technology System 4 (ATS-4), also known as El Capitan (see
-  :ref:`ResultsScaleATS4`)
+  :ref:`ResultsSpartaScaleATS4`)
 
 
 .. _SPARTAComputeFOM:
@@ -582,7 +582,7 @@ example were unnecessary.
    INFO - 2026-02-16 20:54:44,673 - File = /path/to/llnl-benchmarks/docs/31_sparta/checks-10--nodes-001--L-2.0--ktst/log.sparta
 
 
-.. _ResultsATS4:
+.. _ResultsSpartaATS4:
 
 El Capitan - Single Node
 ------------------------
@@ -610,7 +610,7 @@ as part of the output.
    INFO - 2026-02-16 20:54:44,673 - File = /path/to/llnl-benchmarks/docs/31_sparta/checks-10--nodes-001--L-2.0--ktst/log.sparta
 
 
-.. _ResultsScaleATS4:
+.. _ResultsSpartaScaleATS4:
 
 El Capitan - Many Nodes
 -----------------------

docs/32_lammpsACE/kokkos_tools_build_elcapitan.sh

@@ -0,0 +1,50 @@
+#!/usr/bin/env bash
+
+# set top-level script parameters
+umask 022
+set -e
+set -x
+
+# create vars for common directories and files
+dir_root="`git rev-parse --show-toplevel`"
+dir_pwd="` pwd -P `"
+dir_src="${dir_pwd}/kokkos-tools/profiling/space-time-stack"
+dir_build="${dir_pwd}/kokkos-tools/profiling/space-time-stack"
+file_log="${dir_pwd}/kokkos_tools_build.log"
+
+# redirect STDOUT and STDERR through tee
+exec &> >(tee >(ts '[%Y-%m-%d %H:%M:%S]' > "${file_log}"))
+
+# let's turn on verbosity now
+set -v
+
+# output for posterity
+hostname
+uptime
+lscpu
+
+# clean and reset source
+pushd "${dir_src}"
+git clean -fdx
+git reset --hard
+popd
+
+# create build directory
+# test -d "${dir_build}" && rm -rf "${dir_build}"
+# mkdir -p "${dir_build}"
+
+# build
+# list current environment
+module list
+# alter environment
+. lammps_env_elcapitan.sh
+# list current environment
+module list
+pushd "${dir_build}"
+/usr/bin/time --verbose -- \
+    nice -n 1 \
+        gmake CXX=CC
+popd
+
+# gracefully exit
+exit 0

docs/32_lammpsACE/kokkos_tools_clone.sh

@@ -0,0 +1,2 @@
+#!/bin/sh
+git clone git@github.com:kokkos/kokkos-tools.git

docs/32_lammpsACE/kokkos_tools_env_elcapitan.sh

@@ -0,0 +1,4 @@
+#!/bin/bash
+
+dir_root="`git rev-parse --show-toplevel`"
+export KOKKOS_TOOLS_LIBS="${dir_root}/docs/32_lammpsACE/kokkos-tools/profiling/space-time-stack/kp_space_time_stack.so"