fix issues with first merge

Author: Archith Iyer

src/common/m_variables_conversion.fpp

@@ -1424,9 +1424,9 @@ contains
 
         if (chemistry) then
             if (avg_state == 1 .and. abs(c_c) > Tolerance) then
-                c = sqrt(c_c - (gamma - 1.0._wp)*(vel_sum - H))
+                c = sqrt(c_c - (gamma - 1.0_wp)*(vel_sum - H))
             else
-                c = sqrt((1.0._wp + 1.0._wp/gamma)*pres/rho)
+                c = sqrt((1.0_wp + 1.0_wp/gamma)*pres/rho)
             end if
         else
             if (alt_soundspeed) then

src/simulation/m_cbc.fpp

@@ -805,7 +805,7 @@ contains
                         end do
 
 
-                        E = gamma*pres + pi_inf + 5e-1*rho*vel_K_sum
+                        E = gamma*pres + pi_inf + 5e-1_wp*rho*vel_K_sum
                         H = (E + pres)/rho
 
                         ! Compute mixture sound speed

src/simulation/m_checker.fpp

@@ -64,18 +64,14 @@ contains
         @:PROHIBIT(p + 1 < min(1, p)*num_stcls_min*weno_order, &
             "For 3D simulation, p must be greater than or equal to (num_stcls_min*weno_order - 1), whose value is "//trim(numStr))
         @:PROHIBIT(weno_order /= 1 .and. f_is_default(weno_eps), &
-            "weno_order != 1, but weno_eps is not set. A typical value of weno_eps is 1e-6")
-        @:PROHIBIT(weno_eps <= 0d0, "weno_eps must be positive. A typical value of weno_eps is 1e-6")
-        @:PROHIBIT(wenoz .and. weno_order == 7 .and. f_is_default(wenoz_q), &
-            "wenoz is used at 7th order, but wenoz_q is not set. It should be either 2, 3, or 4")
-        @:PROHIBIT(wenoz .and. weno_order == 7 .and. .not. (f_approx_equal(wenoz_q, 2._wp) .or. f_approx_equal(wenoz_q, 3._wp) .or. f_approx_equal(wenoz_q, 4d0)), &
-            "wenoz_q must be either 2, 3, or 4")
-        @:PROHIBIT(teno .and. f_is_default(teno_CT), "teno is used, but teno_CT is not set. A typical value of teno_CT is 1e-6")
-        @:PROHIBIT(teno .and. teno_CT <= 0._wp, "teno_CT must be positive. A typical value of teno_CT is 1e-6")
+            "weno_order != 1, but weno_eps is not set. A typical value of weno_eps is 1e-6_wp")
+        @:PROHIBIT(weno_eps <= 0._wp, "weno_eps must be positive. A typical value of weno_eps is 1e-6_wp")
+        @:PROHIBIT(teno .and. f_is_default(teno_CT), "teno is used, but teno_CT is not set. A typical value of teno_CT is 1e-6_wp")
+        @:PROHIBIT(teno .and. teno_CT <= 0._wp, "teno_CT must be positive. A typical value of teno_CT is 1e-6_wp")
         @:PROHIBIT(count([mapped_weno, wenoz, teno]) >= 2, "Only one of mapped_weno, wenoz, or teno can be set to true")
         @:PROHIBIT(weno_order == 1 .and. mapped_weno)
         @:PROHIBIT(weno_order == 1 .and. wenoz)
-        @:PROHIBIT((weno_order == 1 .or. weno_order == 3) .and. teno)
+        @:PROHIBIT(weno_order /= 5 .and. teno)
         @:PROHIBIT(weno_order /= 5 .and. mp_weno)
         @:PROHIBIT(model_eqns == 1 .and. weno_avg)
     end subroutine s_check_inputs_weno
@@ -295,4 +291,4 @@ contains
         @:PROHIBIT(integral_wrt .and. (.not. bubbles))
     end subroutine s_check_inputs_misc
 
-end module m_checker
+end module m_checker

src/simulation/m_riemann_solvers.fpp

@@ -2258,10 +2258,10 @@ contains
                                 @:compute_average_state()
 
                                 call s_compute_speed_of_sound(pres_L, rho_L, gamma_L, pi_inf_L, H_L, alpha_L, &
-                                                              vel_L_rms, 0_wp, c_L)
+                                                              vel_L_rms, 0._wp, c_L)
 
                                 call s_compute_speed_of_sound(pres_R, rho_R, gamma_R, pi_inf_R, H_R, alpha_R, &
-                                                              vel_R_rms, 0_wp, c_R)
+                                                              vel_R_rms, 0._wp, c_R)
 
                                 !> The computation of c_avg does not require all the variables, and therefore the non '_avg'
                                 ! variables are placeholders to call the subroutine.
@@ -4416,4 +4416,4 @@ contains
 
     end subroutine s_finalize_riemann_solvers_module
 
-end module m_riemann_solvers
+end module m_riemann_solvers

src/simulation/m_start_up.fpp

@@ -1110,7 +1110,7 @@ contains
 
             if (t_step == 0) dt_init = dt
 
-            if (dt < 1e-3*dt_init .and. cfl_adap_dt .and. proc_rank == 0) then
+            if (dt < 1e-3_wp*dt_init .and. cfl_adap_dt .and. proc_rank == 0) then
                 print*, "Delta t = ", dt
                 call s_mpi_abort("Delta t has become too small")
             end if

toolchain/mfc/run/input.py

@@ -5,7 +5,7 @@
 
 from ..printer import cons
 from ..        import common, build
-from ..state   import ARGS
+from ..state   import ARGS, ARG
 from ..case    import Case
 
 @dataclasses.dataclass(init=False)
@@ -69,17 +69,24 @@ def generate_fpp(self, target) -> None:
         # (Thermo)Chemistry source file
         modules_dir = os.path.join(target.get_staging_dirpath(self), "modules", target.name)
         common.create_directory(modules_dir)
+
+        # Determine the real type based on the single precision flag
+        real_type = 'real(sp)' if ARG('single') else 'real(dp)'
+
+        # Write the generated Fortran code to the m_thermochem.f90 file with the chosen precision
         common.file_write(
             os.path.join(modules_dir, "m_thermochem.f90"),
             pyro.codegen.fortran90.gen_thermochem_code(
                 self.get_cantera_solution(),
-                module_name="m_thermochem"
+                module_name="m_thermochem",
+                real_type=real_type
             ),
             True
         )
 
         cons.unindent()
 
+
     # Generate case.fpp & [target.name].inp
     def generate(self, target) -> None:
         self.generate_inp(target)

toolchain/mfc/test/case.py

@@ -216,11 +216,19 @@ def create_directory(self):
     def __str__(self) -> str:
         return f"tests/[bold magenta]{self.get_uuid()}[/bold magenta]: {self.trace}"
 
+    def to_input_file(self) -> input.MFCInputFile:
+        return input.MFCInputFile(
+            os.path.basename(self.get_filepath()),
+            self.get_dirpath(),
+            self.get_parameters())
+
 
     def compute_tolerance(self) -> float:
         single = ARG("single")
         if self.params.get("hypoelasticity", 'F') == 'T':
             tol = 1e-7
+        elif self.params.get("weno_order") == 7:
+            tol = 1e-9
         elif any(self.params.get(key, 'F') == 'T' for key in ['relax', 'ib', 'qbmm', 'bubbles']):
             tol = 1e-10
         elif self.params.get("low_Mach", 'F') == 1 or self.params.get("low_Mach", 'F') == 2:

toolchain/mfc/test/test.py

@@ -233,7 +233,7 @@ def handle_case(case: TestCase, devices: typing.Set[int]):
         try:
             _handle_case(case, devices)
             nPASS += 1
-        except Exception as exc:
+        except MFCException as exc:
             if nAttempts < max_attempts:
                 continue
             nFAIL += 1