lammps-migration-net: add migration + compute and network bound benchmark (#26)

* lammps: add migration + network bound benchmark

* nits: run python format

Author: csegarragonz

.github/workflows/tests.yml

@@ -88,6 +88,8 @@ jobs:
         run: ./bin/inv_wrapper.sh lammps lammps --native
       - name: "Build LAMMPS with migration"
         run: ./bin/inv_wrapper.sh lammps --migration lammps --native --migration
+      - name: "Build LAMMPS with migration and network phase"
+        run: ./bin/inv_wrapper.sh lammps --migration-net lammps --native --migration-net
       - name: "Build Lulesh"
         run: ./bin/inv_wrapper.sh lulesh lulesh --native
       - name: "Build TensorFlow"
@@ -131,7 +133,7 @@ jobs:
     env:
       CONAN_CACHE_MOUNT_SOURCE: ~/.conan
       FAASM_INI_FILE: ./faasm.ini
-      FAASM_VERSION: 0.17.0
+      FAASM_VERSION: 0.20.1
       FAASM_WASM_VM: ${{ matrix.faasm_wasm_vm }}
     steps:
       - uses: csegarragonz/set-compose-version-action@main
@@ -262,6 +264,9 @@ jobs:
       - name: "Run LAMMPS migration binary"
         timeout-minutes: 1
         run: faasmctl invoke lammps migration --cmdline '-in faasm://lammps-data/in.controller.wall' --mpi-world-size 4 --input-data '1 2'
+      - name: "Run LAMMPS migration-net binary"
+        timeout-minutes: 1
+        run: faasmctl invoke lammps migration-net --cmdline '-in faasm://lammps-data/in.controller.wall' --mpi-world-size 4 --input-data '1 2'
           # 08/12/2023 - LULESH is broken with a memory leak
           #       - name: "Run LULESH"
           #         timeout-minutes: 1

.gitmodules

@@ -39,3 +39,7 @@
 [submodule "examples/polybench"]
 	path = examples/polybench
 	url = https://github.com/faasm/polybench.git
+[submodule "examples/lammps-migration-net"]
+	path = examples/lammps-migration-net
+	url = https://github.com/faasm/lammps.git
+	branch = faasm-migration-net

examples/lammps-migration-net

@@ -46,7 +46,7 @@ def cli(ctx, service, clean=False):
             "EXAMPLES_BUILD_VERSION": get_version(),
         }
     )
-    docker_cmd = "docker compose up -d --no-recreate"
+    docker_cmd = "docker compose up -d --no-recreate {}".format(service)
     run(docker_cmd, shell=True, check=True, cwd=PROJ_ROOT, env=build_env)
 
     docker_cmd = "docker compose exec -it {} bash".format(service)

tasks/cli.py

@@ -11,7 +11,9 @@
 
 
 @task(default=True)
-def build(ctx, clean=False, native=False, migration=False):
+def build(
+    ctx, clean=False, native=False, migration=False, migration_net=False
+):
     """
     Build the LAMMPS molecule dynamics simulator.
 
@@ -21,6 +23,8 @@ def build(ctx, clean=False, native=False, migration=False):
     """
     if migration:
         lammps_dir = join(EXAMPLES_DIR, "lammps-migration")
+    if migration_net:
+        lammps_dir = join(EXAMPLES_DIR, "lammps-migration-net")
     else:
         lammps_dir = join(EXAMPLES_DIR, "lammps")
     cmake_dir = join(lammps_dir, "cmake")
@@ -80,8 +84,13 @@ def build(ctx, clean=False, native=False, migration=False):
         )
 
     if not native:
-        # Copy the binary to lammps/main/function.wasm
-        lammps_func_name = "migration" if migration else "main"
+        # Copy the binary to lammps/main/function.wasm`
+        if migration:
+            lammps_func_name = "migration"
+        elif migration_net:
+            lammps_func_name = "migration-net"
+        else:
+            lammps_func_name = "main"
         lammps_func = join(build_dir, "lmp")
 
         if in_docker():

tasks/lammps.py

@@ -43,9 +43,11 @@ def run_docker_build_cmd(cmd_list, cwd=None, env=None):
         docker_cmd = [
             "docker exec",
             "--workdir {}".format(cwd) if cwd is not None else "",
-            " ".join(['--env {}="{}"'.format(k, env[k]) for k in env])
-            if env is not None
-            else "",
+            (
+                " ".join(['--env {}="{}"'.format(k, env[k]) for k in env])
+                if env is not None
+                else ""
+            ),
             EXAMPLES_BUILD_IMAGE_CTR,
             cmd,
         ]