add missing file and rename

Signed-off-by: vsoch <vsoch@users.noreply.github.com>

ramble-gromacs/flux_gromacs.yaml

@@ -0,0 +1,54 @@
+ramble:
+  variables:
+    processes_per_node: 16
+    mpi_command: 'mpirun -n {n_ranks} -ppn {processes_per_node} -hostfile hostfile'
+    batch_submit: '{execute_experiment}'
+  applications:
+    gromacs: # Application name
+      workloads:
+        water_gmx50: # Workload name from application
+          experiments:
+            pme_single_rank: # Arbitrary experiment name
+              variables:
+                n_ranks: '1'
+                n_threads: '1'
+                size: '0003'
+                type: 'pme'
+            rf_single_rank:
+              variables:
+                n_ranks: '1'
+                n_threads: '1'
+                size: '0003'
+                type: 'rf'
+        water_bare:
+          experiments:
+            pme_single_rank:
+              variables:
+                n_ranks: '1'
+                n_threads: '1'
+                size: '0003'
+                type: 'pme'
+            rf_single_rank:
+              variables:
+                n_ranks: '1'
+                n_threads: '1'
+                size: '0003'
+                type: 'rf'
+
+spack:
+    concretized: true
+    packages:
+      gcc9:
+        spack_spec: gcc@9.3.0 target=x86_64
+        compiler_spec: gcc@9.3.0
+      impi2018:
+        spack_spec: intel-mpi@2018.4.274 target=x86_64
+        compiler: gcc9
+      gromacs:
+        spack_spec: gromacs@2021.6
+        compiler: gcc9
+    environments:
+      gromacs:
+        packages:
+        - gromacs
+        - impi2018