From 6a9ed308f84a3d917b92fd13e53c698a7d2a4e8f Mon Sep 17 00:00:00 2001 From: Ben Wilfong <48168887+wilfonba@users.noreply.github.com> Date: Wed, 13 Dec 2023 13:11:27 -0500 Subject: [PATCH 1/7] Performance manual page and better namelist errors --- docs/documentation/expectedPerformance.md | 74 ++++ docs/res/strongScaling/S01.95 | 1 + docs/res/strongScaling/cpuStrongScaling.svg | 450 ++++++++++++++++++++ docs/res/strongScaling/strongScaling16.svg | 429 +++++++++++++++++++ docs/res/strongScaling/strongScaling64.svg | 429 +++++++++++++++++++ docs/res/weakScaling/cpuScaling.svg | 364 ++++++++++++++++ docs/res/weakScaling/frontier.svg | 1 + docs/res/weakScaling/summit.svg | 1 + src/common/m_delay_file_access.f90 | 37 ++ src/post_process/m_data_input.f90 | 140 ++++-- src/post_process/m_global_parameters.fpp | 2 + src/post_process/m_mpi_proxy.fpp | 2 +- src/post_process/m_start_up.f90 | 11 +- src/pre_process/m_data_output.fpp | 185 +++++--- src/pre_process/m_global_parameters.fpp | 2 + src/pre_process/m_mpi_proxy.fpp | 2 +- src/pre_process/m_start_up.fpp | 8 +- src/simulation/m_data_output.fpp | 179 +++++--- src/simulation/m_global_parameters.fpp | 2 + src/simulation/m_mpi_proxy.fpp | 2 +- src/simulation/m_start_up.fpp | 173 +++++--- toolchain/mfc/run/case_dicts.py | 2 +- 22 files changed, 2281 insertions(+), 215 deletions(-) create mode 100644 docs/documentation/expectedPerformance.md create mode 100644 docs/res/strongScaling/S01.95 create mode 100644 docs/res/strongScaling/cpuStrongScaling.svg create mode 100644 docs/res/strongScaling/strongScaling16.svg create mode 100644 docs/res/strongScaling/strongScaling64.svg create mode 100644 docs/res/weakScaling/cpuScaling.svg create mode 100644 src/common/m_delay_file_access.f90 diff --git a/docs/documentation/expectedPerformance.md b/docs/documentation/expectedPerformance.md new file mode 100644 index 000000000..c2455d3a0 --- /dev/null +++ b/docs/documentation/expectedPerformance.md @@ -0,0 +1,74 @@ +# Performance Results + +MFC has been extensively benchmarked on both CPUs and GPUs. A summary of these results follow. + +## Expected time-steps/hour + +The following table outlines expected performance in terms of number of time-steps per hour +(rounded to the nearest hundred) for various problem sizes and hardware for a inviscid, 6-equation, +3D simulation. CPU results utilize an entire die. + +| Hardware | # Ranks | 1M Cells | 4M Cells | 8M Cells | Compiler | Computer | +| ---: | :----: | :----: | :---: | :---: | :----: | :--- | +| Nvidia V100 | 1 | 88.5k | 18.7k | N/A | NVHPC 22.11 | PACE Phoenix | +| Nvidia A100 | 1 | 114.4k | 34.6k | 16.5k | NVHPC 23.5 | Wingtip | +| AMD MI250x | 1 | 77.5k | 22.3k | 11.2k | CCE 16.0.1 | OLCF Frontier | +| Intel Xeon Gold 6226 | 12 | 2.5k | 0.7k | 0.4k | GNU 10.3.0 | Pace Phoenix | +| Apple Silicon M2 | 6 | 2.8k | 0.6k | 0.2k | GNU 13.2.0 | N/A | + +If `'model_eqns' : 3` is replaced by `'model_eqns' : 2`, an inviscid 5-equation model is used. +The following table outlines expected performance in terms of number of time-steps per hour +(rounded to the nearest hundred) for various problem sizes and hardware for a inviscid, 5-equation, +3D simulation. CPU results utilize an entire die. + +| Hardware | # Ranks | 1M Cells | 4M Cells | 8M Cells | Compiler | Computer | +| ---: | :----: | :----: | :---: | :---: | :----: | :--- | +| Nvidia V100 | 1 | 113.4k | 26.2k | N/A | NVHPC 22.11 | PACE Phoenix | +| Nvidia A100 | 1 | 153.5k | 48.0k | 22.5k | NVHPC 23.5 | Wingtip | +| AMD MI250x | 1 | 104.2k | 31.0k | 14.8k | CCE 16.0.1 | OLCF Frontier | +| Intel Xeon Gold 6226 | 12 | 5.4k | 1.6k | 0.8k | GNU 10.3.0 | Pace Phoenix | +| Apple Silicon M2 | 6 | 3.7k | 11.0k | 0.3k | GNU 13.2.0 | N/A | + +## Weak scaling + +Strong scaling results are obtained by increasing the problem size with the number of processes +so that work per process remains constant. + +### AMD MI250X GPU +MFC weask scales to 65,536 AMD MI250X GPUs on OLCF Frontier with 96% efficiency. + + + +### Nvidia V100 GPU +MFC weak scales to 13,824 V100 Nvidia V100 GPUs on OLCF Summit with 97% efficiency. + + + +### IMB Power9 CPU +MFC Weak scales to 13,824 Power9 CPU cores on OLCF Summit with 1% of ideal scaling. + + + +## Strong scaling + +Strong scaling results are obtained by keeping the problem size constant and increasing +the number of process so that work per process decreases. + +### Nvidia V100 GPU + +For these tests, the base case utilizes 8 GPUs with one MPI process per GPU. The performance +is analyzed at two different problem sizes of 16 and 64M grid points, with the base case using +2 and 8M grid points per process. + +#### 16M Grid Points + + +#### 64M Grid Points + + +### IBM Power 9 CPU + +CPU strong scaling tests are done with problem sizes of 16, 32, and 64M grid points, with the +base case using 2, 4, and 8M cells per process. + + \ No newline at end of file diff --git a/docs/res/strongScaling/S01.95 b/docs/res/strongScaling/S01.95 new file mode 100644 index 000000000..ebd60169b --- /dev/null +++ b/docs/res/strongScaling/S01.95 @@ -0,0 +1 @@ + Towards exascale multiphase compressible flow simulation via scalable interface capturing-based solvers and GPU acceleration - Anand Radhakrishnan
Anand Radhakrishnan

Anand Radhakrishnan

PhD Student at Georgia Tech

Towards exascale multiphase compressible flow simulation via scalable interface capturing-based solvers and GPU acceleration

Date:

diff --git a/docs/res/strongScaling/cpuStrongScaling.svg b/docs/res/strongScaling/cpuStrongScaling.svg new file mode 100644 index 000000000..1597b20e0 --- /dev/null +++ b/docs/res/strongScaling/cpuStrongScaling.svg @@ -0,0 +1,450 @@ + +image/svg+xml10 +1 +10 +2 +10 +0 +10 +1 +10 +2 +SmallerProblemperCPUcore +8M +4M +2M +NumberofCPUcores +Walltime[s] +Ideal +MFC + \ No newline at end of file diff --git a/docs/res/strongScaling/strongScaling16.svg b/docs/res/strongScaling/strongScaling16.svg new file mode 100644 index 000000000..e391e8a0a --- /dev/null +++ b/docs/res/strongScaling/strongScaling16.svg @@ -0,0 +1,429 @@ + +image/svg+xml10 +1 +10 +2 +10 +− +3 +10 +− +2 +10 +− +1 +10 +0 +CUMPI +MPI +NumberofGPUs +Walltime[s] +Ideal +MFC + \ No newline at end of file diff --git a/docs/res/strongScaling/strongScaling64.svg b/docs/res/strongScaling/strongScaling64.svg new file mode 100644 index 000000000..91032bf18 --- /dev/null +++ b/docs/res/strongScaling/strongScaling64.svg @@ -0,0 +1,429 @@ + +image/svg+xml10 +1 +10 +2 +10 +− +3 +10 +− +2 +10 +− +1 +10 +0 +CUMPI +MPI +NumberofGPUs +Walltime[s] +Ideal +MFC + \ No newline at end of file diff --git a/docs/res/weakScaling/cpuScaling.svg b/docs/res/weakScaling/cpuScaling.svg new file mode 100644 index 000000000..0108f89a2 --- /dev/null +++ b/docs/res/weakScaling/cpuScaling.svg @@ -0,0 +1,364 @@ + +image/svg+xml10 +2 +10 +3 +10 +4 +0 +0 +. +5 +1 +1 +. +5 +NumberofGPUs +NormalizedWallTime +Ideal +MFC + \ No newline at end of file diff --git a/docs/res/weakScaling/frontier.svg b/docs/res/weakScaling/frontier.svg index b47bd21fa..5882a346e 100644 --- a/docs/res/weakScaling/frontier.svg +++ b/docs/res/weakScaling/frontier.svg @@ -1,5 +1,6 @@ @} logical :: parallel_io !< Format of the data files + logical :: file_per_process !< output format integer, allocatable, dimension(:) :: proc_coords !< !! Processor coordinates in MPI_CART_COMM @@ -294,6 +295,7 @@ contains flux_lim = dflt_int flux_wrt = .false. parallel_io = .false. + file_per_process = .true. E_wrt = .false. pres_wrt = .false. alpha_wrt = .false. diff --git a/src/post_process/m_mpi_proxy.fpp b/src/post_process/m_mpi_proxy.fpp index 1d67d9168..ef09f1bf3 100644 --- a/src/post_process/m_mpi_proxy.fpp +++ b/src/post_process/m_mpi_proxy.fpp @@ -168,7 +168,7 @@ contains & 'E_wrt', 'pres_wrt', 'gamma_wrt', & & 'heat_ratio_wrt', 'pi_inf_wrt', 'pres_inf_wrt', 'cons_vars_wrt', & & 'prim_vars_wrt', 'c_wrt', 'qm_wrt','schlieren_wrt', 'bubbles', & - & 'polytropic', 'polydisperse' ] + & 'polytropic', 'polydisperse', 'file_per_process' ] call MPI_BCAST(${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #:endfor diff --git a/src/post_process/m_start_up.f90 b/src/post_process/m_start_up.f90 index 3741cc3e4..1f259c85f 100644 --- a/src/post_process/m_start_up.f90 +++ b/src/post_process/m_start_up.f90 @@ -53,6 +53,8 @@ subroutine s_read_input_file() ! --------------------------------------- integer :: iostatus !! Integer to check iostat of file read + character(len=1000) :: line + ! Namelist for all of the parameters to be inputed by the user namelist /user_inputs/ case_dir, m, n, p, t_step_start, & t_step_stop, t_step_save, model_eqns, & @@ -69,7 +71,7 @@ subroutine s_read_input_file() ! --------------------------------------- flux_lim, flux_wrt, cyl_coord, & parallel_io, rhoref, pref, bubbles, qbmm, sigR, & R0ref, nb, polytropic, thermal, Ca, Web, Re_inv, & - polydisperse, poly_sigma + polydisperse, poly_sigma, file_per_process ! Inquiring the status of the post_process.inp file file_loc = 'post_process.inp' @@ -83,8 +85,11 @@ subroutine s_read_input_file() ! --------------------------------------- read (1, NML=user_inputs, iostat=iostatus) if (iostatus /= 0) then - call s_mpi_abort('Invalid line in post_process.inp. It is '// & - 'likely due to a datatype mismatch. Exiting ...') + backspace(1) + read(1,fmt='(A)') line + print*, 'Invalid line in namelist: '//trim(line) + call s_mpi_abort('Invalid line in pre_process.inp. It is '// & + 'likely due to a datatype mismatch. Exiting ...') end if close (1) diff --git a/src/pre_process/m_data_output.fpp b/src/pre_process/m_data_output.fpp index 9c57d9d76..c10fc76e5 100644 --- a/src/pre_process/m_data_output.fpp +++ b/src/pre_process/m_data_output.fpp @@ -29,6 +29,8 @@ module m_data_output use m_variables_conversion use m_helper + + use m_delay_file_access ! ========================================================================== implicit none @@ -396,80 +398,147 @@ contains integer(KIND=MPI_OFFSET_KIND) :: MOK character(LEN=path_len + 2*name_len) :: file_loc - logical :: file_exist + logical :: file_exist, dir_check ! Generic loop iterator integer :: i - ! Initialize MPI data I/O - call s_initialize_mpi_data(q_cons_vf) - - ! Open the file to write all flow variables - write (file_loc, '(I0,A)') t_step_start, '.dat' - file_loc = trim(restart_dir)//trim(mpiiofs)//trim(file_loc) - inquire (FILE=trim(file_loc), EXIST=file_exist) - if (file_exist .and. proc_rank == 0) then - call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) - end if - call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), & - mpi_info_int, ifile, ierr) - - ! Size of local arrays - data_size = (m + 1)*(n + 1)*(p + 1) - - ! Resize some integers so MPI can write even the biggest files - m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) - n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) - p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) - WP_MOK = int(8d0, MPI_OFFSET_KIND) - MOK = int(1d0, MPI_OFFSET_KIND) - str_MOK = int(name_len, MPI_OFFSET_KIND) - NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) - - ! Write the data for each variable - if (bubbles) then - do i = 1, sys_size! adv_idx%end - var_MOK = int(i, MPI_OFFSET_KIND) - - ! Initial displacement to skip at beginning of file - disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) - - call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) - call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & - MPI_DOUBLE_PRECISION, status, ierr) - end do - !Additional variables pb and mv for non-polytropic qbmm - if(qbmm .and. .not. polytropic) then - do i = sys_size + 1, sys_size + 2*nb*nnode + if (file_per_process) then + if (proc_rank == 0) then + file_loc = trim(case_dir)//'/restart_data/lustre_0' + call my_inquire(file_loc, dir_check) + if (dir_check .neqv. .true.) then + call s_create_directory(trim(file_loc)) + end if + call s_create_directory(trim(file_loc)) + end if + call s_mpi_barrier() + call DelayFileAccess (proc_rank) + ! Initialize MPI data I/O + call s_initialize_mpi_data(q_cons_vf) + + ! Open the file to write all flow variables + write (file_loc, '(I0,A,i7.7,A)') t_step_start, '_', proc_rank, '.dat' + file_loc = trim(restart_dir)//'/lustre_0'//trim(mpiiofs)//trim(file_loc) + inquire (FILE=trim(file_loc), EXIST=file_exist) + if (file_exist .and. proc_rank == 0) then + call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) + end if + if (file_exist) call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) + call MPI_FILE_OPEN(MPI_COMM_SELF, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), & + mpi_info_int, ifile, ierr) + + ! Size of local arrays + data_size = (m + 1)*(n + 1)*(p + 1) + + ! Resize some integers so MPI can write even the biggest files + m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) + n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) + p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) + WP_MOK = int(8d0, MPI_OFFSET_KIND) + MOK = int(1d0, MPI_OFFSET_KIND) + str_MOK = int(name_len, MPI_OFFSET_KIND) + NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) + + ! Write the data for each variable + if (bubbles) then + do i = 1, sys_size! adv_idx%end var_MOK = int(i, MPI_OFFSET_KIND) - ! Initial displacement to skip at beginning of file - disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + !Additional variables pb and mv for non-polytropic qbmm + if(qbmm .and. .not. polytropic) then + do i = sys_size + 1, sys_size + 2*nb*nnode + var_MOK = int(i, MPI_OFFSET_KIND) + + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + else + do i = 1, sys_size !TODO: check if this is right + ! do i = 1, adv_idx%end + var_MOK = int(i, MPI_OFFSET_KIND) - call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & MPI_DOUBLE_PRECISION, status, ierr) end do end if + + call MPI_FILE_CLOSE(ifile, ierr) + else - do i = 1, sys_size !TODO: check if this is right -! do i = 1, adv_idx%end - var_MOK = int(i, MPI_OFFSET_KIND) + ! Initialize MPI data I/O + call s_initialize_mpi_data(q_cons_vf) + + ! Open the file to write all flow variables + write (file_loc, '(I0,A)') t_step_start, '.dat' + file_loc = trim(restart_dir)//trim(mpiiofs)//trim(file_loc) + inquire (FILE=trim(file_loc), EXIST=file_exist) + if (file_exist .and. proc_rank == 0) then + call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) + end if + call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), & + mpi_info_int, ifile, ierr) + + ! Size of local arrays + data_size = (m + 1)*(n + 1)*(p + 1) + + ! Resize some integers so MPI can write even the biggest files + m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) + n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) + p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) + WP_MOK = int(8d0, MPI_OFFSET_KIND) + MOK = int(1d0, MPI_OFFSET_KIND) + str_MOK = int(name_len, MPI_OFFSET_KIND) + NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) + + ! Write the data for each variable + if (bubbles) then + do i = 1, sys_size! adv_idx%end + var_MOK = int(i, MPI_OFFSET_KIND) - ! Initial displacement to skip at beginning of file - disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + ! Initial displacement to skip at beginning of file + disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) - call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) - call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & - MPI_DOUBLE_PRECISION, status, ierr) - end do - end if + call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & + 'native', mpi_info_int, ierr) + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + !Additional variables pb and mv for non-polytropic qbmm + if(qbmm .and. .not. polytropic) then + do i = sys_size + 1, sys_size + 2*nb*nnode + var_MOK = int(i, MPI_OFFSET_KIND) + + ! Initial displacement to skip at beginning of file + disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + + call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & + 'native', mpi_info_int, ierr) + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + else + do i = 1, sys_size !TODO: check if this is right + ! do i = 1, adv_idx%end + var_MOK = int(i, MPI_OFFSET_KIND) + + ! Initial displacement to skip at beginning of file + disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) - call MPI_FILE_CLOSE(ifile, ierr) + call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & + 'native', mpi_info_int, ierr) + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + call MPI_FILE_CLOSE(ifile, ierr) + endif #endif end subroutine s_write_parallel_data_files ! --------------------------- diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index 3958b4ffd..a022fe61c 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -95,6 +95,7 @@ module m_global_parameters !! Boundary conditions in the x-, y- and z-coordinate directions logical :: parallel_io !< Format of the data files + logical :: file_per_process !< type of data output integer :: precision !< Precision of output files logical :: vel_profile !< Set hypertangent streamwise velocity profile @@ -249,6 +250,7 @@ contains bc_z%beg = dflt_int; bc_z%end = dflt_int parallel_io = .false. + file_per_process = .true. precision = 2 vel_profile = .false. instability_wave = .false. diff --git a/src/pre_process/m_mpi_proxy.fpp b/src/pre_process/m_mpi_proxy.fpp index 7e43a5242..2e8d431d1 100644 --- a/src/pre_process/m_mpi_proxy.fpp +++ b/src/pre_process/m_mpi_proxy.fpp @@ -55,7 +55,7 @@ contains #:for VAR in [ 'old_grid','old_ic','stretch_x','stretch_y','stretch_z',& & 'cyl_coord','adv_alphan','mpp_lim','hypoelasticity', & & 'parallel_io', 'perturb_flow', 'vel_profile', 'instability_wave', 'perturb_sph', & - 'bubbles', 'polytropic', 'polydisperse', 'qbmm' ] + 'bubbles', 'polytropic', 'polydisperse', 'qbmm', 'file_per_process' ] call MPI_BCAST(${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #:endfor call MPI_BCAST(fluid_rho(1), num_fluids_max, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) diff --git a/src/pre_process/m_start_up.fpp b/src/pre_process/m_start_up.fpp index 2633ec626..abc7f0f54 100644 --- a/src/pre_process/m_start_up.fpp +++ b/src/pre_process/m_start_up.fpp @@ -105,6 +105,8 @@ contains integer :: iostatus !! Integer to check iostat of file read + character(len=1000) :: line + ! Namelist for all of the parameters to be inputed by the user namelist /user_inputs/ case_dir, old_grid, old_ic, & t_step_old, t_step_start, m, n, p, x_domain, y_domain, z_domain, & @@ -121,7 +123,8 @@ contains rhoref, pref, bubbles, R0ref, nb, & polytropic, thermal, Ca, Web, Re_inv, & polydisperse, poly_sigma, qbmm, & - sigR, sigV, dist_type, rhoRV, R0_type + sigR, sigV, dist_type, rhoRV, R0_type, & + file_per_process ! Inquiring the status of the pre_process.inp file file_loc = 'pre_process.inp' @@ -134,6 +137,9 @@ contains STATUS='old', ACTION='read') read (1, NML=user_inputs, iostat=iostatus) if (iostatus /= 0) then + backspace(1) + read(1,fmt='(A)') line + print*, 'Invalid line in namelist: '//trim(line) call s_mpi_abort('Invalid line in pre_process.inp. It is '// & 'likely due to a datatype mismatch. Exiting ...') end if diff --git a/src/simulation/m_data_output.fpp b/src/simulation/m_data_output.fpp index 6229daacf..11be64a1f 100644 --- a/src/simulation/m_data_output.fpp +++ b/src/simulation/m_data_output.fpp @@ -26,6 +26,8 @@ module m_data_output use m_compile_specific use m_helper + + use m_delay_file_access ! ========================================================================== implicit none @@ -813,78 +815,149 @@ contains integer(KIND=MPI_OFFSET_KIND) :: MOK character(LEN=path_len + 2*name_len) :: file_loc - logical :: file_exist + logical :: file_exist, dir_check + character(len = 10) :: t_step_string integer :: i !< Generic loop iterator - ! Initialize MPI data I/O + if (file_per_process) then - call s_initialize_mpi_data(q_cons_vf) + call s_int_to_str(t_step, t_step_string) - ! Open the file to write all flow variables - write (file_loc, '(I0,A)') t_step, '.dat' - file_loc = trim(case_dir)//'/restart_data'//trim(mpiiofs)//trim(file_loc) - inquire (FILE=trim(file_loc), EXIST=file_exist) - if (file_exist .and. proc_rank == 0) then - call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) - end if - call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), & - mpi_info_int, ifile, ierr) - - ! Size of local arrays - data_size = (m + 1)*(n + 1)*(p + 1) - - ! Resize some integers so MPI can write even the biggest files - m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) - n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) - p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) - WP_MOK = int(8d0, MPI_OFFSET_KIND) - MOK = int(1d0, MPI_OFFSET_KIND) - str_MOK = int(name_len, MPI_OFFSET_KIND) - NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) - - if (bubbles) then - ! Write the data for each variable - do i = 1, sys_size - var_MOK = int(i, MPI_OFFSET_KIND) + if (proc_rank == 0) then + file_loc = trim(case_dir)//'/restart_data/lustre_'//trim(t_step_string) + call my_inquire(file_loc, dir_check) + if (dir_check .neqv. .true.) then + call s_create_directory(trim(file_loc)) + end if + call s_create_directory(trim(file_loc)) + end if + call s_mpi_barrier() + call DelayFileAccess (proc_rank) - ! Initial displacement to skip at beginning of file - disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + ! Initialize MPI data I/O - call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) - call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & - MPI_DOUBLE_PRECISION, status, ierr) - end do - !Write pb and mv for non-polytropic qbmm - if(qbmm .and. .not. polytropic) then - do i = sys_size + 1, sys_size + 2*nb*nnode + call s_initialize_mpi_data(q_cons_vf) + + ! Open the file to write all flow variables + write (file_loc, '(I0,A,i7.7,A)') t_step, '_', proc_rank, '.dat' + file_loc = trim(case_dir)//'/restart_data/lustre_'//trim(t_step_string)//trim(mpiiofs)//trim(file_loc) + inquire (FILE=trim(file_loc), EXIST=file_exist) + if (file_exist .and. proc_rank == 0) then + call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) + end if + call MPI_FILE_OPEN(MPI_COMM_SELF, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), & + mpi_info_int, ifile, ierr) + + ! Size of local arrays + data_size = (m + 1)*(n + 1)*(p + 1) + + ! Resize some integers so MPI can write even the biggest files + m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) + n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) + p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) + WP_MOK = int(8d0, MPI_OFFSET_KIND) + MOK = int(1d0, MPI_OFFSET_KIND) + str_MOK = int(name_len, MPI_OFFSET_KIND) + NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) + + if (bubbles) then + ! Write the data for each variable + do i = 1, sys_size + var_MOK = int(i, MPI_OFFSET_KIND) + + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + !Write pb and mv for non-polytropic qbmm + if(qbmm .and. .not. polytropic) then + do i = sys_size + 1, sys_size + 2*nb*nnode + var_MOK = int(i, MPI_OFFSET_KIND) + + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + else + do i = 1, sys_size !TODO: check if correct (sys_size + var_MOK = int(i, MPI_OFFSET_KIND) + + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + + call MPI_FILE_CLOSE(ifile, ierr) + else + ! Initialize MPI data I/O + + call s_initialize_mpi_data(q_cons_vf) + + ! Open the file to write all flow variables + write (file_loc, '(I0,A)') t_step, '.dat' + file_loc = trim(case_dir)//'/restart_data'//trim(mpiiofs)//trim(file_loc) + inquire (FILE=trim(file_loc), EXIST=file_exist) + if (file_exist .and. proc_rank == 0) then + call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) + end if + call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), & + mpi_info_int, ifile, ierr) + + ! Size of local arrays + data_size = (m + 1)*(n + 1)*(p + 1) + + ! Resize some integers so MPI can write even the biggest files + m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) + n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) + p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) + WP_MOK = int(8d0, MPI_OFFSET_KIND) + MOK = int(1d0, MPI_OFFSET_KIND) + str_MOK = int(name_len, MPI_OFFSET_KIND) + NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) + + if (bubbles) then + ! Write the data for each variable + do i = 1, sys_size var_MOK = int(i, MPI_OFFSET_KIND) ! Initial displacement to skip at beginning of file disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) + 'native', mpi_info_int, ierr) call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & MPI_DOUBLE_PRECISION, status, ierr) end do - end if - else - do i = 1, sys_size !TODO: check if correct (sys_size - var_MOK = int(i, MPI_OFFSET_KIND) + !Write pb and mv for non-polytropic qbmm + if(qbmm .and. .not. polytropic) then + do i = sys_size + 1, sys_size + 2*nb*nnode + var_MOK = int(i, MPI_OFFSET_KIND) + + ! Initial displacement to skip at beginning of file + disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + + call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & + 'native', mpi_info_int, ierr) + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + else + do i = 1, sys_size !TODO: check if correct (sys_size + var_MOK = int(i, MPI_OFFSET_KIND) - ! Initial displacement to skip at beginning of file - disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + ! Initial displacement to skip at beginning of file + disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) - call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) - call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & - MPI_DOUBLE_PRECISION, status, ierr) - end do - end if + call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & + 'native', mpi_info_int, ierr) + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if - call MPI_FILE_CLOSE(ifile, ierr) + call MPI_FILE_CLOSE(ifile, ierr) + end if #endif diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index a49b78bd2..590782e51 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -134,6 +134,7 @@ module m_global_parameters !> @} logical :: parallel_io !< Format of the data files + logical :: file_per_process !< shared file or not when using parallel io integer :: precision !< Precision of output files integer, allocatable, dimension(:) :: proc_coords !< @@ -373,6 +374,7 @@ contains null_weights = .false. mixture_err = .false. parallel_io = .false. + file_per_process = .true. precision = 2 hypoelasticity = .false. weno_flat = .true. diff --git a/src/simulation/m_mpi_proxy.fpp b/src/simulation/m_mpi_proxy.fpp index bfb163cb3..73ece6f0a 100644 --- a/src/simulation/m_mpi_proxy.fpp +++ b/src/simulation/m_mpi_proxy.fpp @@ -136,7 +136,7 @@ contains & 'weno_Re_flux', 'alt_soundspeed', 'null_weights', 'mixture_err', & & 'parallel_io', 'hypoelasticity', 'bubbles', 'polytropic', & & 'polydisperse', 'qbmm', 'monopole', 'probe_wrt', 'integral_wrt', & - & 'prim_vars_wrt', 'weno_avg'] + & 'prim_vars_wrt', 'weno_avg', 'file_per_process'] call MPI_BCAST(${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #:endfor diff --git a/src/simulation/m_start_up.fpp b/src/simulation/m_start_up.fpp index ca1f29208..9d362ac1a 100644 --- a/src/simulation/m_start_up.fpp +++ b/src/simulation/m_start_up.fpp @@ -117,6 +117,8 @@ contains integer :: iostatus !! Integer to check iostat of file read + character(len=1000) :: line + ! Namelist of the global parameters which may be specified by user namelist /user_inputs/ case_dir, run_time_info, m, n, p, dt, & t_step_start, t_step_stop, t_step_save, & @@ -141,7 +143,7 @@ contains polytropic, thermal, & integral, integral_wrt, num_integrals, & polydisperse, poly_sigma, qbmm, & - R0_type + R0_type, file_per_process ! Checking that an input file has been provided by the user. If it ! has, then the input file is read in, otherwise, simulation exits. @@ -155,8 +157,11 @@ contains read (1, NML=user_inputs, iostat=iostatus) if (iostatus /= 0) then - call s_mpi_abort('Invalid line in simulation.inp. It is '// & - 'likely due to a datatype mismatch. Exiting ...') + backspace(1) + read(1,fmt='(A)') line + print*, 'Invalid line in namelist: '//trim(line) + call s_mpi_abort('Invalid line in pre_process.inp. It is '// & + 'likely due to a datatype mismatch. Exiting ...') end if close (1) @@ -392,6 +397,8 @@ contains character(LEN=path_len + 2*name_len) :: file_loc logical :: file_exist + character(len = 10) :: t_step_start_string + integer :: i allocate (x_cb_glb(-1:m_glb)) @@ -463,76 +470,136 @@ contains end if end if - ! Open the file to read conservative variables - write (file_loc, '(I0,A)') t_step_start, '.dat' - file_loc = trim(case_dir)//'/restart_data'//trim(mpiiofs)//trim(file_loc) - inquire (FILE=trim(file_loc), EXIST=file_exist) + if (file_per_process) then + call s_int_to_str(t_step_start, t_step_start_string) + ! Open the file to read conservative variables + write (file_loc, '(I0,A1,I7.7,A)') t_step_start, '_', proc_rank, '.dat' + file_loc = trim(case_dir)//'/restart_data/lustre_'//trim(t_step_start_string)//trim(mpiiofs)//trim(file_loc) + inquire (FILE=trim(file_loc), EXIST=file_exist) - if (file_exist) then - call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, MPI_MODE_RDONLY, mpi_info_int, ifile, ierr) + if (file_exist) then + call MPI_FILE_OPEN(MPI_COMM_SELF, file_loc, MPI_MODE_RDONLY, mpi_info_int, ifile, ierr) - ! Initialize MPI data I/O + ! Initialize MPI data I/O + call s_initialize_mpi_data(q_cons_vf) - call s_initialize_mpi_data(q_cons_vf) + ! Size of local arrays + data_size = (m + 1)*(n + 1)*(p + 1) - ! Size of local arrays - data_size = (m + 1)*(n + 1)*(p + 1) + ! Resize some integers so MPI can read even the biggest file + m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) + n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) + p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) + WP_MOK = int(8d0, MPI_OFFSET_KIND) + MOK = int(1d0, MPI_OFFSET_KIND) + str_MOK = int(name_len, MPI_OFFSET_KIND) + NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) - ! Resize some integers so MPI can read even the biggest file - m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) - n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) - p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) - WP_MOK = int(8d0, MPI_OFFSET_KIND) - MOK = int(1d0, MPI_OFFSET_KIND) - str_MOK = int(name_len, MPI_OFFSET_KIND) - NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) + ! Read the data for each variable + if (bubbles .or. hypoelasticity) then - ! Read the data for each variable - if (bubbles .or. hypoelasticity) then + do i = 1, sys_size!adv_idx%end + var_MOK = int(i, MPI_OFFSET_KIND) - do i = 1, sys_size!adv_idx%end - var_MOK = int(i, MPI_OFFSET_KIND) - ! Initial displacement to skip at beginning of file - disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + !Read pb and mv for non-polytropic qbmm + if(qbmm .and. .not. polytropic) then + do i = sys_size + 1, sys_size + 2*nb*nnode + var_MOK = int(i, MPI_OFFSET_KIND) - call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) - call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & - MPI_DOUBLE_PRECISION, status, ierr) - end do - !Read pb and mv for non-polytropic qbmm - if(qbmm .and. .not. polytropic) then - do i = sys_size + 1, sys_size + 2*nb*nnode + call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + else + do i = 1, adv_idx%end + var_MOK = int(i, MPI_OFFSET_KIND) + + call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + + call s_mpi_barrier() + + call MPI_FILE_CLOSE(ifile, ierr) + else + call s_mpi_abort('File '//trim(file_loc)//' is missing. Exiting...') + end if + else + ! Open the file to read conservative variables + write (file_loc, '(I0,A)') t_step_start, '.dat' + file_loc = trim(case_dir)//'/restart_data'//trim(mpiiofs)//trim(file_loc) + inquire (FILE=trim(file_loc), EXIST=file_exist) + + if (file_exist) then + call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, MPI_MODE_RDONLY, mpi_info_int, ifile, ierr) + + ! Initialize MPI data I/O + + call s_initialize_mpi_data(q_cons_vf) + + ! Size of local arrays + data_size = (m + 1)*(n + 1)*(p + 1) + + ! Resize some integers so MPI can read even the biggest file + m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) + n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) + p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) + WP_MOK = int(8d0, MPI_OFFSET_KIND) + MOK = int(1d0, MPI_OFFSET_KIND) + str_MOK = int(name_len, MPI_OFFSET_KIND) + NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) + + ! Read the data for each variable + if (bubbles .or. hypoelasticity) then + + do i = 1, sys_size!adv_idx%end var_MOK = int(i, MPI_OFFSET_KIND) ! Initial displacement to skip at beginning of file disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) + 'native', mpi_info_int, ierr) call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & - MPI_DOUBLE_PRECISION, status, ierr) + MPI_DOUBLE_PRECISION, status, ierr) end do - end if - else - do i = 1, adv_idx%end - var_MOK = int(i, MPI_OFFSET_KIND) + !Read pb and mv for non-polytropic qbmm + if(qbmm .and. .not. polytropic) then + do i = sys_size + 1, sys_size + 2*nb*nnode + var_MOK = int(i, MPI_OFFSET_KIND) + ! Initial displacement to skip at beginning of file + disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + + call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & + 'native', mpi_info_int, ierr) + call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if + else + do i = 1, adv_idx%end + var_MOK = int(i, MPI_OFFSET_KIND) - ! Initial displacement to skip at beginning of file - disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) + ! Initial displacement to skip at beginning of file + disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) - call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & - 'native', mpi_info_int, ierr) - call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & - MPI_DOUBLE_PRECISION, status, ierr) - end do - end if + call MPI_FILE_SET_VIEW(ifile, disp, MPI_DOUBLE_PRECISION, MPI_IO_DATA%view(i), & + 'native', mpi_info_int, ierr) + call MPI_FILE_READ(ifile, MPI_IO_DATA%var(i)%sf, data_size, & + MPI_DOUBLE_PRECISION, status, ierr) + end do + end if - call s_mpi_barrier() + call s_mpi_barrier() - call MPI_FILE_CLOSE(ifile, ierr) - else - call s_mpi_abort('File '//trim(file_loc)//' is missing. Exiting...') + call MPI_FILE_CLOSE(ifile, ierr) + else + call s_mpi_abort('File '//trim(file_loc)//' is missing. Exiting...') + end if end if deallocate (x_cb_glb, y_cb_glb, z_cb_glb) diff --git a/toolchain/mfc/run/case_dicts.py b/toolchain/mfc/run/case_dicts.py index 1a753d1b9..4299c67a8 100644 --- a/toolchain/mfc/run/case_dicts.py +++ b/toolchain/mfc/run/case_dicts.py @@ -7,7 +7,7 @@ "Web", "poly_sigma", "case_dir", "thermal", "polytropic", "m", "mpp_lim", "R0ref", "adv_alphan", "num_fluids", "model_eqns", "nb", "weno_order", "rhoref", "bubbles", "Re_inv", "n", "precision", - "Ca", "polydisperse" + "Ca", "polydisperse", "file_per_process" ] From b0002b3942dacfc92d2b60cf50f46e152e46be1b Mon Sep 17 00:00:00 2001 From: Ben Wilfong <48168887+wilfonba@users.noreply.github.com> Date: Wed, 13 Dec 2023 13:19:33 -0500 Subject: [PATCH 2/7] Additional documentation --- docs/documentation/case.md | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/docs/documentation/case.md b/docs/documentation/case.md index fd97d3b43..d5c03c7fb 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -344,6 +344,7 @@ Note that `time_stepper` $=$ 3 specifies the total variation diminishing (TVD), | `format` | Integer | Output format. [1]: Silo-HDF5; [2] Binary | | `precision` | Integer | [1] Single; [2] Double | | `parallel_io` | Logical | Parallel I/O | +| `file_per_process` | Logical | Whether or not to write one IO file per process | | `cons_vars_wrt` | Logical | Write conservative variables | | `prim_vars_wrt` | Logical | Write primitive variables | | `alpha_rho_wrt(i)` | Logical | Add the partial density of the fluid $i$ to the database \| @@ -377,7 +378,10 @@ The table lists formatted database output parameters. The parameters define vari With parallel I/O, MFC inputs and outputs a single file throughout pre-process, simulation, and post-process, regardless of the number of processors used. Parallel I/O enables the use of different number of processors in each of the processes (i.e. simulation data generated using 1000 processors can be post-processed using a single processor). -- `cons_vars_wrt` and `prim_vars_wrt} activate output of conservative and primitive state variables into the database, respectively. +- `file_per_process` deactivates shared file MPI-IO and activates file per process MPI-IO. The default behaviour is to use a shared file. + File per process is usefull when running on 10's of thousands of ranks. + +- `cons_vars_wrt` and `prim_vars_wrt` activate output of conservative and primitive state variables into the database, respectively. - `[variable's name]_wrt` activates output of the each specified variable into the database. From 9dba3bfdb19b2c4f00cc97200b3e953863f533b5 Mon Sep 17 00:00:00 2001 From: Ben Wilfong <48168887+wilfonba@users.noreply.github.com> Date: Wed, 13 Dec 2023 13:41:15 -0500 Subject: [PATCH 3/7] add example case --- examples/2D_riemann_test/README.md | 11 +++++++++++ examples/2D_riemann_test/alpha_rho1_final.png | Bin 0 -> 140823 bytes .../2D_riemann_test/alpha_rho1_initial.png | Bin 0 -> 7163 bytes 3 files changed, 11 insertions(+) create mode 100644 examples/2D_riemann_test/README.md create mode 100644 examples/2D_riemann_test/alpha_rho1_final.png create mode 100644 examples/2D_riemann_test/alpha_rho1_initial.png diff --git a/examples/2D_riemann_test/README.md b/examples/2D_riemann_test/README.md new file mode 100644 index 000000000..4e644c988 --- /dev/null +++ b/examples/2D_riemann_test/README.md @@ -0,0 +1,11 @@ +# 2D Riemann Test (2D) + +Reference: Chamarthi, A., & Hoffmann, N., & Nishikawa, H., & Frankel S. (2023). Implicit gradients based conservative numerical scheme for compressible flows. arXiv:2110.05461 + +## Density Initial Condition + +![Density](alpha_rho1_initial.png) + +## Density Final Condition + +![Density Norms](alpha_rho1_final.png) diff --git a/examples/2D_riemann_test/alpha_rho1_final.png b/examples/2D_riemann_test/alpha_rho1_final.png new file mode 100644 index 0000000000000000000000000000000000000000..c2b0d71e78fc586f9e93da6a5c5e8046bf26f59a GIT binary patch literal 140823 zcmeEt_cz>c)a@WabP=NW5=8Hv5Tb`*lpuN?C3*|_B1RXTQKI+W+YmL%5WS2NozbFq z?o8hM{u6iIS<5f82G5-5oW1usXMe)qYbfF4P~rdp0DR?l3fcg`lPKhmBsMzooxq3q zXaIm7psXOL<889PG+ep&E17#MP$6!ry}W^+vuwyiLWJBY!-n@ykxNhPTGq-ijR?L7 z-kcM;Xi%(iqt>SQ_S9&Hz^v6M`*-4==pXrUue5(gzEZi7aV(cgz|l%nP>#A1`!BbY zo)PuRwc_2TBqBz=#{K7%nf|?LNaQ&I{`Vpa$rSvb&pkC`i~jePt=#|r7%Fi8Zv~{* z4WD*4@KNR=+qAQ4ma2(;snFeOb7%-S3LKT#&Yb;w)G|#ZRX;Kmc)lC>H16KHv*PjW zR_5{O5d**nsJ_{BUK$uc{(%nPM;FLMN`a(U!aUF84XNz4iQM@;A=NqbW~mHVv$gB| 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zi8}*W&|^T|5(Ib(+#qLDeC@6NYbklRpawHnvJ!?ex{eqv-L`GkBav%TPm=_~nxpBa zhc^lx`#q+tV1wnsdviygVZ#QKdpPV-j|d-AiVl?gbn<*`FNQI%KLquaIoTbQUs7CS z5s%84e`dE2`+?puYic`5!0(_kW^PK4soeLZ4epr+<+8=*x@>+V*AdRDHB7EDQKaGY z&~#>QXfylD%0b0d+l1Qz|9iH)uQ=GBti Date: Thu, 14 Dec 2023 10:59:44 -0500 Subject: [PATCH 4/7] requested changes --- docs/documentation/expectedPerformance.md | 14 ++++++++------ docs/res/strongScaling/S01.95 | 1 - src/post_process/m_global_parameters.fpp | 2 +- src/pre_process/m_global_parameters.fpp | 2 +- src/simulation/m_global_parameters.fpp | 2 +- 5 files changed, 11 insertions(+), 10 deletions(-) delete mode 100644 docs/res/strongScaling/S01.95 diff --git a/docs/documentation/expectedPerformance.md b/docs/documentation/expectedPerformance.md index c2455d3a0..8d528412c 100644 --- a/docs/documentation/expectedPerformance.md +++ b/docs/documentation/expectedPerformance.md @@ -11,9 +11,10 @@ The following table outlines expected performance in terms of number of time-ste | Hardware | # Ranks | 1M Cells | 4M Cells | 8M Cells | Compiler | Computer | | ---: | :----: | :----: | :---: | :---: | :----: | :--- | | Nvidia V100 | 1 | 88.5k | 18.7k | N/A | NVHPC 22.11 | PACE Phoenix | +| Nvidia V100 | 1 | 78.8k | 18.8k | N/A | NVHPC 22.11 | OLCF Summit | | Nvidia A100 | 1 | 114.4k | 34.6k | 16.5k | NVHPC 23.5 | Wingtip | | AMD MI250x | 1 | 77.5k | 22.3k | 11.2k | CCE 16.0.1 | OLCF Frontier | -| Intel Xeon Gold 6226 | 12 | 2.5k | 0.7k | 0.4k | GNU 10.3.0 | Pace Phoenix | +| Intel Xeon Gold 6226 | 12 | 2.5k | 0.7k | 0.4k | GNU 10.3.0 | PACE Phoenix | | Apple Silicon M2 | 6 | 2.8k | 0.6k | 0.2k | GNU 13.2.0 | N/A | If `'model_eqns' : 3` is replaced by `'model_eqns' : 2`, an inviscid 5-equation model is used. @@ -23,10 +24,11 @@ The following table outlines expected performance in terms of number of time-ste | Hardware | # Ranks | 1M Cells | 4M Cells | 8M Cells | Compiler | Computer | | ---: | :----: | :----: | :---: | :---: | :----: | :--- | -| Nvidia V100 | 1 | 113.4k | 26.2k | N/A | NVHPC 22.11 | PACE Phoenix | +| Nvidia V100 | 1 | 113.4k | 26.2k | 13.0k | NVHPC 22.11 | PACE Phoenix | +| Nvidia V100 | 1 | 107.7k | 26.3k | 13.1k | NVHPC 22.11 | OLCF Summit | | Nvidia A100 | 1 | 153.5k | 48.0k | 22.5k | NVHPC 23.5 | Wingtip | | AMD MI250x | 1 | 104.2k | 31.0k | 14.8k | CCE 16.0.1 | OLCF Frontier | -| Intel Xeon Gold 6226 | 12 | 5.4k | 1.6k | 0.8k | GNU 10.3.0 | Pace Phoenix | +| Intel Xeon Gold 6226 | 12 | 5.4k | 1.6k | 0.8k | GNU 10.3.0 | PACE Phoenix | | Apple Silicon M2 | 6 | 3.7k | 11.0k | 0.3k | GNU 13.2.0 | N/A | ## Weak scaling @@ -35,17 +37,17 @@ Strong scaling results are obtained by increasing the problem size with the numb so that work per process remains constant. ### AMD MI250X GPU -MFC weask scales to 65,536 AMD MI250X GPUs on OLCF Frontier with 96% efficiency. +MFC weask scales to 65,536 AMD MI250X GPUs on OLCF Frontier with 96% efficiency. This corresponds to 87% of the entire machine. ### Nvidia V100 GPU -MFC weak scales to 13,824 V100 Nvidia V100 GPUs on OLCF Summit with 97% efficiency. +MFC weak scales to 13,824 V100 Nvidia V100 GPUs on OLCF Summit with 97% efficiency. This corresponds to 50% of the entire machine. ### IMB Power9 CPU -MFC Weak scales to 13,824 Power9 CPU cores on OLCF Summit with 1% of ideal scaling. +MFC Weak scales to 13,824 Power9 CPU cores on OLCF Summit to within 1% of ideal scaling. diff --git a/docs/res/strongScaling/S01.95 b/docs/res/strongScaling/S01.95 deleted file mode 100644 index ebd60169b..000000000 --- a/docs/res/strongScaling/S01.95 +++ /dev/null @@ -1 +0,0 @@ - Towards exascale multiphase compressible flow simulation via scalable interface capturing-based solvers and GPU acceleration - Anand Radhakrishnan
Anand Radhakrishnan

Anand Radhakrishnan

PhD Student at Georgia Tech

Towards exascale multiphase compressible flow simulation via scalable interface capturing-based solvers and GPU acceleration

Date:

diff --git a/src/post_process/m_global_parameters.fpp b/src/post_process/m_global_parameters.fpp index 31521593f..ff0d06985 100644 --- a/src/post_process/m_global_parameters.fpp +++ b/src/post_process/m_global_parameters.fpp @@ -295,7 +295,7 @@ contains flux_lim = dflt_int flux_wrt = .false. parallel_io = .false. - file_per_process = .true. + file_per_process = .false. E_wrt = .false. pres_wrt = .false. alpha_wrt = .false. diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index 81f6898ff..8d23c22ac 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -251,7 +251,7 @@ contains bc_z%beg = dflt_int; bc_z%end = dflt_int parallel_io = .false. - file_per_process = .true. + file_per_process = .false. precision = 2 vel_profile = .false. instability_wave = .false. diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 590782e51..439533ca3 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -374,7 +374,7 @@ contains null_weights = .false. mixture_err = .false. parallel_io = .false. - file_per_process = .true. + file_per_process = .false. precision = 2 hypoelasticity = .false. weno_flat = .true. From 8339fc05e6d7e440b1225430ab36a8b9eb483e80 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 14 Dec 2023 11:47:57 -0500 Subject: [PATCH 5/7] Update expectedPerformance.md --- docs/documentation/expectedPerformance.md | 64 ++++++++++++----------- 1 file changed, 33 insertions(+), 31 deletions(-) diff --git a/docs/documentation/expectedPerformance.md b/docs/documentation/expectedPerformance.md index 8d528412c..1992fb8c4 100644 --- a/docs/documentation/expectedPerformance.md +++ b/docs/documentation/expectedPerformance.md @@ -1,76 +1,78 @@ # Performance Results -MFC has been extensively benchmarked on both CPUs and GPUs. A summary of these results follow. +MFC has been extensively benchmarked on CPUs and GPU devices. +A summary of these results follows. ## Expected time-steps/hour -The following table outlines expected performance in terms of number of time-steps per hour -(rounded to the nearest hundred) for various problem sizes and hardware for a inviscid, 6-equation, -3D simulation. CPU results utilize an entire die. +The following table outlines expected performance in terms of the number of time steps per hour +(rounded to the nearest hundred) for various problem sizes (grid cells) and hardware for an inviscid, 6-equation (`model_eqns' : 3`), 3D simulation. +CPU results utilize an entire die. | Hardware | # Ranks | 1M Cells | 4M Cells | 8M Cells | Compiler | Computer | | ---: | :----: | :----: | :---: | :---: | :----: | :--- | -| Nvidia V100 | 1 | 88.5k | 18.7k | N/A | NVHPC 22.11 | PACE Phoenix | -| Nvidia V100 | 1 | 78.8k | 18.8k | N/A | NVHPC 22.11 | OLCF Summit | -| Nvidia A100 | 1 | 114.4k | 34.6k | 16.5k | NVHPC 23.5 | Wingtip | -| AMD MI250x | 1 | 77.5k | 22.3k | 11.2k | CCE 16.0.1 | OLCF Frontier | +| NVIDIA V100 | 1 | 88.5k | 18.7k | N/A | NVHPC 22.11 | PACE Phoenix | +| NVIDIA V100 | 1 | 78.8k | 18.8k | N/A | NVHPC 22.11 | OLCF Summit | +| NVIDIA A100 | 1 | 114.4k | 34.6k | 16.5k | NVHPC 23.5 | Wingtip | +| AMD MI250X | 1 | 77.5k | 22.3k | 11.2k | CCE 16.0.1 | OLCF Frontier | | Intel Xeon Gold 6226 | 12 | 2.5k | 0.7k | 0.4k | GNU 10.3.0 | PACE Phoenix | | Apple Silicon M2 | 6 | 2.8k | 0.6k | 0.2k | GNU 13.2.0 | N/A | If `'model_eqns' : 3` is replaced by `'model_eqns' : 2`, an inviscid 5-equation model is used. -The following table outlines expected performance in terms of number of time-steps per hour -(rounded to the nearest hundred) for various problem sizes and hardware for a inviscid, 5-equation, -3D simulation. CPU results utilize an entire die. +The following table outlines expected performance in terms of the number of time-steps per hour (rounded to the nearest hundred) for various problem sizes and hardware for an inviscid, 5-equation, +3D simulation. +CPU results utilize an entire die. | Hardware | # Ranks | 1M Cells | 4M Cells | 8M Cells | Compiler | Computer | | ---: | :----: | :----: | :---: | :---: | :----: | :--- | -| Nvidia V100 | 1 | 113.4k | 26.2k | 13.0k | NVHPC 22.11 | PACE Phoenix | -| Nvidia V100 | 1 | 107.7k | 26.3k | 13.1k | NVHPC 22.11 | OLCF Summit | -| Nvidia A100 | 1 | 153.5k | 48.0k | 22.5k | NVHPC 23.5 | Wingtip | -| AMD MI250x | 1 | 104.2k | 31.0k | 14.8k | CCE 16.0.1 | OLCF Frontier | +| NVIDIA V100 | 1 | 113.4k | 26.2k | 13.0k | NVHPC 22.11 | PACE Phoenix | +| NVIDIA V100 | 1 | 107.7k | 26.3k | 13.1k | NVHPC 22.11 | OLCF Summit | +| NVIDIA A100 | 1 | 153.5k | 48.0k | 22.5k | NVHPC 23.5 | Wingtip | +| AMD MI250X | 1 | 104.2k | 31.0k | 14.8k | CCE 16.0.1 | OLCF Frontier | | Intel Xeon Gold 6226 | 12 | 5.4k | 1.6k | 0.8k | GNU 10.3.0 | PACE Phoenix | | Apple Silicon M2 | 6 | 3.7k | 11.0k | 0.3k | GNU 13.2.0 | N/A | ## Weak scaling -Strong scaling results are obtained by increasing the problem size with the number of processes -so that work per process remains constant. +Strong scaling results are obtained by increasing the problem size with the number of processes so that work per process remains constant. ### AMD MI250X GPU -MFC weask scales to 65,536 AMD MI250X GPUs on OLCF Frontier with 96% efficiency. This corresponds to 87% of the entire machine. + +MFC weask scales to (at least) 65,536 AMD MI250X GPUs on OLCF Frontier with 96% efficiency. +This corresponds to 87% of the entire machine. -### Nvidia V100 GPU -MFC weak scales to 13,824 V100 Nvidia V100 GPUs on OLCF Summit with 97% efficiency. This corresponds to 50% of the entire machine. +### NVIDIA V100 GPU + +MFC weak scales to (at least) 13,824 V100 NVIDIA V100 GPUs on OLCF Summit with 97% efficiency. +This corresponds to 50% of the entire machine. -### IMB Power9 CPU +### IBM Power9 CPU MFC Weak scales to 13,824 Power9 CPU cores on OLCF Summit to within 1% of ideal scaling. ## Strong scaling -Strong scaling results are obtained by keeping the problem size constant and increasing -the number of process so that work per process decreases. +Strong scaling results are obtained by keeping the problem size constant and increasing the number of processes so that work per process decreases. -### Nvidia V100 GPU +### NVIDIA V100 GPU -For these tests, the base case utilizes 8 GPUs with one MPI process per GPU. The performance -is analyzed at two different problem sizes of 16 and 64M grid points, with the base case using -2 and 8M grid points per process. +For these tests, the base case utilizes 8 GPUs with one MPI process per GPU. +The performance is analyzed at two different problem sizes of 16M and 64M grid points, with the base case using 2M and 8M grid points per process. #### 16M Grid Points + #### 64M Grid Points -### IBM Power 9 CPU +### IBM Power9 CPU -CPU strong scaling tests are done with problem sizes of 16, 32, and 64M grid points, with the -base case using 2, 4, and 8M cells per process. +CPU strong scaling tests are done with problem sizes of 16, 32, and 64M grid points, with the base case using 2, 4, and 8M cells per process. - \ No newline at end of file + From 7994f5d67ba3d1ec5ce66a83e7acc9bfa7fe975f Mon Sep 17 00:00:00 2001 From: Ben Wilfong <48168887+wilfonba@users.noreply.github.com> Date: Thu, 14 Dec 2023 12:08:04 -0500 Subject: [PATCH 6/7] small .md correction and added performance to list of pages. --- docs/documentation/expectedPerformance.md | 2 +- docs/documentation/readme.md | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/docs/documentation/expectedPerformance.md b/docs/documentation/expectedPerformance.md index 1992fb8c4..ddfe38d75 100644 --- a/docs/documentation/expectedPerformance.md +++ b/docs/documentation/expectedPerformance.md @@ -34,7 +34,7 @@ CPU results utilize an entire die. ## Weak scaling -Strong scaling results are obtained by increasing the problem size with the number of processes so that work per process remains constant. +Weak scaling results are obtained by increasing the problem size with the number of processes so that work per process remains constant. ### AMD MI250X GPU diff --git a/docs/documentation/readme.md b/docs/documentation/readme.md index cfe9e4eb5..6d8256c51 100644 --- a/docs/documentation/readme.md +++ b/docs/documentation/readme.md @@ -8,6 +8,7 @@ - [Example Cases](examples.md) - [Running MFC](running.md) - [Flow Visualisation](visualisation.md) +- [Performance Results](expectedPerformance.md) - [MFC's Authors](authors.md) - [References](references.md) From 61688cd03281dea4f8140948cd5c28eebf243424 Mon Sep 17 00:00:00 2001 From: Henry LE BERRE Date: Thu, 14 Dec 2023 09:10:50 -0800 Subject: [PATCH 7/7] #255: CMake Docs: Missing call to examples.sh --- CMakeLists.txt | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 2dcd976ca..3d656d124 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -446,15 +446,16 @@ if (MFC_SYSCHECK) endif() if (MFC_DOCUMENTATION) - # Files in docs/examples are used to generate docs/documentation/examples.md - file(GLOB_RECURSE examples_DOCs CONFIGURE_DEPENDS "${CMAKE_CURRENT_SOURCE_DIR}/docs/examples/*") + # Files in examples/ are used to generate docs/documentation/examples.md + file(GLOB_RECURSE examples_DOCs CONFIGURE_DEPENDS "${CMAKE_CURRENT_SOURCE_DIR}/examples/*") add_custom_command( OUTPUT "${CMAKE_CURRENT_SOURCE_DIR}/docs/documentation/examples.md" - DEPENDS "${examples_DOCs}" + DEPENDS "${CMAKE_CURRENT_SOURCE_DIR}/docs/examples.sh;${examples_DOCs}" COMMAND "bash" "${CMAKE_CURRENT_SOURCE_DIR}/docs/examples.sh" "${CMAKE_CURRENT_SOURCE_DIR}" COMMENT "Generating examples.md" + VERBATIM ) file(GLOB common_DOCs CONFIGURE_DEPENDS "${CMAKE_CURRENT_SOURCE_DIR}/docs/*") @@ -486,7 +487,7 @@ if (MFC_DOCUMENTATION) "${CMAKE_CURRENT_BINARY_DIR}/${target}-Doxyfile" @ONLY) set(opt_example_dependency "") - if (target STREQUAL "documentation") + if (${target} STREQUAL documentation) set(opt_example_dependency "${CMAKE_CURRENT_SOURCE_DIR}/docs/documentation/examples.md") endif()