MFC
Exascale flow solver
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m_sim_helpers.fpp.f90
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1# 1 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
2!>
3!! @file
4!! @brief Contains module m_sim_helpers
5
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7! This file exists so that Fypp can be run without generating case.fpp files for
8! each target. This is useful when generating documentation, for example. This
9! should also let MFC be built with CMake directly, without invoking mfc.sh.
10
11! For pre-process.
12# 9 "/home/runner/work/MFC/MFC/src/common/include/case.fpp"
13
14! For moving immersed boundaries in simulation
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280# 14 "/home/runner/work/MFC/MFC/src/common/include/macros.fpp"
281
282! Caution:
283! This macro requires the use of a binding script to set CUDA_VISIBLE_DEVICES, such that we have one GPU device per MPI rank.
284! That's because for both cudaMemAdvise (preferred location) and cudaMemPrefetchAsync we use location = device_id = 0.
285! For an example see misc/nvidia_uvm/bind.sh.
286# 63 "/home/runner/work/MFC/MFC/src/common/include/macros.fpp"
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302# 7 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp" 2
303
304!> @brief Simulation helper routines for enthalpy computation, CFL calculation, and stability checks
306
307 use m_derived_types !< definitions of the derived types
308
310
312
313 implicit none
314
315 private; public :: s_compute_enthalpy, &
318
319contains
320
321 !> Computes the modified dtheta for Fourier filtering in azimuthal direction
322 !! @param k y coordinate index
323 !! @param l z coordinate index
324 !! @return fltr_dtheta Modified dtheta value for cylindrical coordinates
325 function f_compute_filtered_dtheta(k, l) result(fltr_dtheta)
326
327# 30 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
328#if MFC_OpenACC
329# 30 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
330!$acc routine seq
331# 30 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
332#elif MFC_OpenMP
333# 30 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
334
335# 30 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
336
337# 30 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
338!$omp declare target device_type(any)
339# 30 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
340#endif
341 integer, intent(in) :: k, l
342 real(wp) :: fltr_dtheta
343 integer :: nfq
344
345 if (grid_geometry == 3) then
346 if (k == 0) then
347 fltr_dtheta = 2._wp*pi*y_cb(0)/3._wp
348 elseif (k <= fourier_rings) then
349 nfq = min(floor(2._wp*real(k, wp)*pi), (p + 1)/2 + 1)
350 fltr_dtheta = 2._wp*pi*y_cb(k - 1)/real(nfq, wp)
351 else
352 fltr_dtheta = y_cb(k - 1)*dz(l)
353 end if
354 else
355 fltr_dtheta = 0._wp
356 end if
357 end function f_compute_filtered_dtheta
358
359 !> Computes inviscid CFL terms for multi-dimensional cases (2D/3D only)
360 !! @param vel directional velocities
361 !! @param c mixture speed of sound
362 !! @param j x coordinate index
363 !! @param k y coordinate index
364 !! @param l z coordinate index
365 !! @return cfl_terms computed CFL terms for 2D/3D cases
366 function f_compute_multidim_cfl_terms(vel, c, j, k, l) result(cfl_terms)
367
368# 57 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
369#if MFC_OpenACC
370# 57 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
371!$acc routine seq
372# 57 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
373#elif MFC_OpenMP
374# 57 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
375
376# 57 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
377
378# 57 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
379!$omp declare target device_type(any)
380# 57 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
381#endif
382 real(wp), dimension(num_vels), intent(in) :: vel
383 real(wp), intent(in) :: c
384 integer, intent(in) :: j, k, l
385 real(wp) :: cfl_terms
386 real(wp) :: fltr_dtheta
387
388 fltr_dtheta = f_compute_filtered_dtheta(k, l)
389
390 if (p > 0) then
391 !3D
392# 69 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
393 if (grid_geometry == 3) then
394 cfl_terms = min(dx(j)/(abs(vel(1)) + c), &
395 dy(k)/(abs(vel(2)) + c), &
396 fltr_dtheta/(abs(vel(3)) + c))
397 else
398 cfl_terms = min(dx(j)/(abs(vel(1)) + c), &
399 dy(k)/(abs(vel(2)) + c), &
400 dz(l)/(abs(vel(3)) + c))
401 end if
402# 79 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
403 else
404 !2D
405 cfl_terms = min(dx(j)/(abs(vel(1)) + c), &
406 dy(k)/(abs(vel(2)) + c))
407 end if
409
410 !> Computes enthalpy
411 !! @param q_prim_vf cell centered primitive variables
412 !! @param pres mixture pressure
413 !! @param rho mixture density
414 !! @param gamma mixture gamma
415 !! @param pi_inf mixture pi_inf
416 !! @param Re mixture reynolds number
417 !! @param H mixture enthalpy
418 !! @param alpha component alphas
419 !! @param vel directional velocities
420 !! @param vel_sum squard sum of velocity components
421 !! @param qv Fluid reference energy
422 !! @param j x index
423 !! @param k y index
424 !! @param l z index
425 subroutine s_compute_enthalpy(q_prim_vf, pres, rho, gamma, pi_inf, Re, H, alpha, vel, vel_sum, qv, j, k, l)
426
427# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
428#ifdef _CRAYFTN
429# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
430#if MFC_OpenACC
431# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
432!$acc routine seq
433# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
434#elif MFC_OpenMP
435# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
436
437# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
438
439# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
440!$omp declare target device_type(any)
441# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
442#else
443# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
444!DIR$ INLINEALWAYS s_compute_enthalpy
445# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
446#endif
447# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
448#elif MFC_OpenACC
449# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
450!$acc routine seq
451# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
452#elif MFC_OpenMP
453# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
454
455# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
456
457# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
458!$omp declare target device_type(any)
459# 102 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
460#endif
461# 104 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
462
463 type(scalar_field), intent(in), dimension(sys_size) :: q_prim_vf
464# 110 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
465 real(wp), intent(inout), dimension(num_fluids) :: alpha
466 real(wp), intent(inout), dimension(num_vels) :: vel
467# 113 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
468 real(wp), intent(inout) :: rho, gamma, pi_inf, vel_sum, h, pres
469 real(wp), intent(out) :: qv
470 integer, intent(in) :: j, k, l
471 real(wp), dimension(2), intent(inout) :: re
472# 120 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
473 real(wp), dimension(num_fluids) :: alpha_rho, gs
474# 122 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
475 real(wp) :: e, g_local
476
477 integer :: i
478
479 call s_compute_species_fraction(q_prim_vf, j, k, l, alpha_rho, alpha)
480
481 if (elasticity) then
482 call s_convert_species_to_mixture_variables_acc(rho, gamma, pi_inf, qv, alpha, &
483 alpha_rho, re, g_local, gs)
484 else
485 call s_convert_species_to_mixture_variables_acc(rho, gamma, pi_inf, qv, alpha, alpha_rho, re)
486 end if
487
488 if (igr) then
489
490# 136 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
491#if defined(MFC_OpenACC)
492# 136 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
493!$acc loop seq
494# 136 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
495#elif defined(MFC_OpenMP)
496# 136 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
497
498# 136 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
499#endif
500 do i = 1, num_vels
501 vel(i) = q_prim_vf(contxe + i)%sf(j, k, l)/rho
502 end do
503 else
504
505# 141 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
506#if defined(MFC_OpenACC)
507# 141 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
508!$acc loop seq
509# 141 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
510#elif defined(MFC_OpenMP)
511# 141 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
512
513# 141 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
514#endif
515 do i = 1, num_vels
516 vel(i) = q_prim_vf(contxe + i)%sf(j, k, l)
517 end do
518 end if
519
520 vel_sum = 0._wp
521
522# 148 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
523#if defined(MFC_OpenACC)
524# 148 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
525!$acc loop seq
526# 148 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
527#elif defined(MFC_OpenMP)
528# 148 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
529
530# 148 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
531#endif
532 do i = 1, num_vels
533 vel_sum = vel_sum + vel(i)**2._wp
534 end do
535
536 if (igr) then
537 e = q_prim_vf(e_idx)%sf(j, k, l)
538 pres = (e - pi_inf - qv - 5.e-1_wp*rho*vel_sum)/gamma
539 else
540 pres = q_prim_vf(e_idx)%sf(j, k, l)
541 e = gamma*pres + pi_inf + 5.e-1_wp*rho*vel_sum + qv
542 end if
543
544 ! Adjust energy for hyperelasticity
545 if (hyperelasticity) then
546 e = e + g_local*q_prim_vf(xiend + 1)%sf(j, k, l)
547 end if
548
549 h = (e + pres)/rho
550
551 end subroutine s_compute_enthalpy
552
553 !> Computes stability criterion for a specified dt
554 !! @param vel directional velocities
555 !! @param c mixture speed of sound
556 !! @param rho Density
557 !! @param Re_l mixture Reynolds number
558 !! @param j x index
559 !! @param k y index
560 !! @param l z index
561 !! @param icfl_sf cell-centered inviscid cfl number
562 !! @param vcfl_sf (optional) cell-centered viscous CFL number
563 !! @param Rc_sf (optional) cell centered Rc
564 subroutine s_compute_stability_from_dt(vel, c, rho, Re_l, j, k, l, icfl_sf, vcfl_sf, Rc_sf)
565
566# 182 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
567#if MFC_OpenACC
568# 182 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
569!$acc routine seq
570# 182 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
571#elif MFC_OpenMP
572# 182 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
573
574# 182 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
575
576# 182 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
577!$omp declare target device_type(any)
578# 182 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
579#endif
580 real(wp), intent(in), dimension(num_vels) :: vel
581 real(wp), intent(in) :: c, rho
582 real(wp), dimension(0:m, 0:n, 0:p), intent(inout) :: icfl_sf
583 real(wp), dimension(0:m, 0:n, 0:p), intent(inout), optional :: vcfl_sf, rc_sf
584 real(wp), dimension(2), intent(in) :: re_l
585 integer, intent(in) :: j, k, l
586
587 real(wp) :: fltr_dtheta
588
589 ! Inviscid CFL calculation
590 if (p > 0 .or. n > 0) then
591 ! 2D/3D
592 icfl_sf(j, k, l) = dt/f_compute_multidim_cfl_terms(vel, c, j, k, l)
593 else
594 ! 1D
595 icfl_sf(j, k, l) = (dt/dx(j))*(abs(vel(1)) + c)
596 end if
597
598 ! Viscous calculations
599 if (viscous) then
600 if (p > 0) then
601# 205 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
602 !3D
603 if (grid_geometry == 3) then
604 fltr_dtheta = f_compute_filtered_dtheta(k, l)
605 vcfl_sf(j, k, l) = maxval(dt/re_l/rho) &
606 /min(dx(j), dy(k), fltr_dtheta)**2._wp
607 rc_sf(j, k, l) = min(dx(j)*(abs(vel(1)) + c), &
608 dy(k)*(abs(vel(2)) + c), &
609 fltr_dtheta*(abs(vel(3)) + c)) &
610 /maxval(1._wp/re_l)
611 else
612 vcfl_sf(j, k, l) = maxval(dt/re_l/rho) &
613 /min(dx(j), dy(k), dz(l))**2._wp
614 rc_sf(j, k, l) = min(dx(j)*(abs(vel(1)) + c), &
615 dy(k)*(abs(vel(2)) + c), &
616 dz(l)*(abs(vel(3)) + c)) &
617 /maxval(1._wp/re_l)
618 end if
619# 223 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
620 elseif (n > 0) then
621 !2D
622 vcfl_sf(j, k, l) = maxval(dt/re_l/rho)/min(dx(j), dy(k))**2._wp
623 rc_sf(j, k, l) = min(dx(j)*(abs(vel(1)) + c), &
624 dy(k)*(abs(vel(2)) + c)) &
625 /maxval(1._wp/re_l)
626 else
627 !1D
628 vcfl_sf(j, k, l) = maxval(dt/re_l/rho)/dx(j)**2._wp
629 rc_sf(j, k, l) = dx(j)*(abs(vel(1)) + c)/maxval(1._wp/re_l)
630 end if
631 end if
632
633 end subroutine s_compute_stability_from_dt
634
635 !> Computes dt for a specified CFL number
636 !! @param vel directional velocities
637 !! @param c Speed of sound
638 !! @param max_dt cell centered maximum dt
639 !! @param rho cell centered density
640 !! @param Re_l cell centered Reynolds number
641 !! @param j x coordinate
642 !! @param k y coordinate
643 !! @param l z coordinate
644 subroutine s_compute_dt_from_cfl(vel, c, max_dt, rho, Re_l, j, k, l)
645
646# 248 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
647#if MFC_OpenACC
648# 248 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
649!$acc routine seq
650# 248 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
651#elif MFC_OpenMP
652# 248 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
653
654# 248 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
655
656# 248 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
657!$omp declare target device_type(any)
658# 248 "/home/runner/work/MFC/MFC/src/simulation/m_sim_helpers.fpp"
659#endif
660 real(wp), dimension(num_vels), intent(in) :: vel
661 real(wp), intent(in) :: c, rho
662 real(wp), dimension(0:m, 0:n, 0:p), intent(inout) :: max_dt
663 real(wp), dimension(2), intent(in) :: re_l
664 integer, intent(in) :: j, k, l
665
666 real(wp) :: icfl_dt, vcfl_dt
667 real(wp) :: fltr_dtheta
668
669 ! Inviscid CFL calculation
670 if (p > 0 .or. n > 0) then
671 ! 2D/3D cases
672 icfl_dt = cfl_target*f_compute_multidim_cfl_terms(vel, c, j, k, l)
673 else
674 ! 1D case
675 icfl_dt = cfl_target*(dx(j)/(abs(vel(1)) + c))
676 end if
677
678 ! Viscous calculations
679 if (viscous) then
680 if (p > 0) then
681 !3D
682 if (grid_geometry == 3) then
683 fltr_dtheta = f_compute_filtered_dtheta(k, l)
684 vcfl_dt = cfl_target*(min(dx(j), dy(k), fltr_dtheta)**2._wp) &
685 /maxval(1/(rho*re_l))
686 else
687 vcfl_dt = cfl_target*(min(dx(j), dy(k), dz(l))**2._wp) &
688 /maxval(1/(rho*re_l))
689 end if
690 elseif (n > 0) then
691 !2D
692 vcfl_dt = cfl_target*(min(dx(j), dy(k))**2._wp)/maxval((1/re_l)/rho)
693 else
694 !1D
695 vcfl_dt = cfl_target*(dx(j)**2._wp)/maxval(1/(rho*re_l))
696 end if
697 end if
698
699 if (any(re_size > 0)) then
700 max_dt(j, k, l) = min(icfl_dt, vcfl_dt)
701 else
702 max_dt(j, k, l) = icfl_dt
703 end if
704
705 end subroutine s_compute_dt_from_cfl
706
707end module m_sim_helpers
integer, intent(in) k
integer, intent(in) j
integer, intent(in) l
Shared derived types for field data, patch geometry, bubble dynamics, and MPI I/O structures.
Global parameters for the computational domain, fluid properties, and simulation algorithm configurat...
integer, dimension(2) re_size
logical igr
Use information geometric regularization.
logical viscous
Viscous effects.
logical hyperelasticity
hyperelasticity modeling
integer num_vels
Number of velocity components (different from num_dims for mhd).
real(wp), dimension(:), allocatable, target y_cb
integer e_idx
Index of energy equation.
logical elasticity
elasticity modeling, true for hyper or hypo
real(wp), dimension(:), allocatable, target dy
real(wp) dt
Size of the time-step.
real(wp), dimension(:), allocatable, target dz
real(wp), dimension(:), allocatable, target dx
Simulation helper routines for enthalpy computation, CFL calculation, and stability checks.
subroutine, public s_compute_enthalpy(q_prim_vf, pres, rho, gamma, pi_inf, re, h, alpha, vel, vel_sum, qv, j, k, l)
Computes enthalpy.
subroutine, public s_compute_dt_from_cfl(vel, c, max_dt, rho, re_l, j, k, l)
Computes dt for a specified CFL number.
real(wp) function f_compute_filtered_dtheta(k, l)
Computes the modified dtheta for Fourier filtering in azimuthal direction.
subroutine, public s_compute_stability_from_dt(vel, c, rho, re_l, j, k, l, icfl_sf, vcfl_sf, rc_sf)
Computes stability criterion for a specified dt.
real(wp) function f_compute_multidim_cfl_terms(vel, c, j, k, l)
Computes inviscid CFL terms for multi-dimensional cases (2D/3D only).
Conservative-to-primitive variable conversion, mixture property evaluation, and pressure computation.
subroutine, public s_compute_species_fraction(q_vf, k, l, r, alpha_rho_k, alpha_k)
This subroutine computes partial densities and volume fractions.
subroutine, public s_convert_species_to_mixture_variables_acc(rho_k, gamma_k, pi_inf_k, qv_k, alpha_k, alpha_rho_k, re_k, g_k, g)
GPU-accelerated conversion of species volume fractions and partial densities to mixture density,...
Derived type annexing a scalar field (SF).