lammps cts1 openmp build (#66)

* lammps cts1 openmp build

* Remove +intel variant

experiments/lammps/openmp/execute_experiment.tpl

@@ -0,0 +1,10 @@
+#!/bin/bash
+{batch_nodes}
+{batch_ranks}
+{batch_timeout}
+
+cd {experiment_run_dir}
+
+{spack_setup}
+
+{command}

experiments/lammps/openmp/ramble.yaml

@@ -0,0 +1,54 @@
+ramble:
+  include:
+  - ./configs/spack.yaml
+  - ./configs/variables.yaml
+
+  config:
+    deprecated: true
+    spack_flags:
+      install: '--add --keep-stage'
+      concretize: '-U -f'
+
+  applications:
+    lammps:
+      workloads:
+        hns-reaxff:
+          env_vars:
+            set:
+              OMP_NUM_THREADS: '{omp_num_threads}'
+          variables:
+            n_ranks: '{processes_per_node} * {n_nodes}'
+            size_name: ['medium']
+            size_x: [2]
+            size_y: [2]
+            size_z: [2]
+            scaling_nodes: [1]
+            n_nodes: '{scaling_nodes}'
+            omp_num_threads: '1'
+            lammps_flags: '-v x {size_x} -v y {size_y} -v z {size_z}'
+          experiments:
+            scaling_{n_nodes}nodes_{size_name}:
+              variables:
+                env_name: lammps_omp
+                processes_per_node: ['36']
+              zips:
+                problems:
+                - size_name
+                - size_x
+                - size_y
+                - size_z
+              matrix:
+              - problems
+              - scaling_nodes
+  spack:
+    concretized: true
+    packages:
+      lammps_omp:
+        spack_spec: [email protected] +opt+manybody+molecule+kspace+rigid+openmp+openmp-package+asphere+dpd-basic+dpd-meso+dpd-react+dpd-smooth+reaxff
+        compiler: default-compiler
+    environments:
+      lammps_omp:
+        packages:
+        - lapack
+        - default-mpi
+        - lammps_omp