sirius: initialize before use

force_env_create already calls into the sirius library, this regression was introduced in commit d3703bf
cp2k · Nov 11, 2021 · 33488da · 33488da
1 parent d9068a4
commit 33488da
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/start/cp2k_runs.F b/src/start/cp2k_runs.F
@@ -299,6 +299,7 @@ RECURSIVE SUBROUTINE cp2k_run(input_declaration, input_file_name, output_unit, m
          CALL run_optimize_basis(input_declaration, root_section, para_env)
          globenv%run_type_id = none_run
       CASE (do_cp2k)
+         IF (method_name_id == do_sirius) CALL cp_sirius_init()
          CALL create_force_env(new_env_id, &
                                input_declaration=input_declaration, &
                                input_path=input_file_name, &
@@ -311,7 +312,6 @@ RECURSIVE SUBROUTINE cp2k_run(input_declaration, input_file_name, output_unit, m
          force_env => f_env%force_env
          CALL force_env_get(force_env, globenv=globenv)
          CALL globenv_retain(globenv)
-         IF (method_name_id == do_sirius) CALL cp_sirius_init()
       CASE (do_test)
          CALL lib_test(root_section, para_env, globenv)
       CASE (do_tree_mc) ! TMC entry point