CMAQ version 5.3beta UNC4 orig Technical Documentation
Timing Information for CMAQv5.3beta_UNC4 - May 2019
The Community Multiscale Air Quality (CMAQ) modeling system Version 5.3 (CMAQv5.3) is scheduled for release in July 2019.
To facilitate community contributions to this model release, a “CMAQv5.3_branch_v53_UG” version was created and made available to external collaborators/developers in May 2019. This Beta_UNC4-version will undergo extensive application and evaluation over the next few months, which may lead to additional changes before the final release.
The CMAQv5.3_branch_v53_UG repository is available from https://github.com/kmfoley/CMAQ/tree/v53_UG.
Updated documentation for CMAQv5.3beta, including build instructions and technical features are available as well.
Release Testing
The CMAS Center will test the CMAQv5.3_branch_v53_UG release package with several versions and configurations of the Portland Group, Intel, and GNU Fortran compilers. In addition to different serial and parallel configurations, the release will be tested under different science configurations. The results of the CMAS Center tests will include run times for different compilers and configurations are provided below. All tests were conducted with the U.S. EPA SE52 12km domain July 11, 2011 test dataset. This dataset is distributed for benchmarking the model installation and includes new EPIC files.
Two classes of tests:
- Compiler tests used the default benchmark configuration with different compilers and MPI configurations.
- Configuration tests used the gcc or intel vXX OpenMPI compiler to generate executables that exercise different scientific configurations of the release software.
Compiler flags:
- GCC: mpif90 -c -ffixed-form -ffixed-line-length-132 -funroll-loops -finit-character=32 -O3 -funroll-loops -finit-character=32 -Wtabs -Wsurprising
- Intel: mpifort -c -fixed -132 -O3 -fno-alias -mp1 -fp-model source -ftz -simd -align all -axCOMMON-AVX512 -vec-guard-write -unroll-aggressive -mssse3
- Link step:
mpifort -qopenmp-simd *.o -L/proj/ie/proj/CMAS/CMAQ/CMAQv5.3_branch_v53_UG/openmpi_3.1.4_intel_18.2/lib/x86_64/intel/ioapi/lib -lioapi -L/proj/ie/proj/CMAS/CMAQ/CMAQv5.3_branch_v53_UG/openmpi_3.1.4_intel_18.2/lib/x86_64/intel/netcdf/lib -lnetcdff -lnetcdf -L /proj/ie/proj/CMAS/CMAQ/CMAQv5.3_branch_v53_UG/openmpi_3.1.4_intel_18.2/lib/x86_64/intel/pnetcdf/lib -lpnetcdf -qopenmp -o CCTM_v53.exe
Note: this website contains explanation of why timing varies depending on the mpi flavor that is being used, and suggests flags to pin or bind tasks to a core set of cpus,and also options to use the infiniband.
https://www.chpc.utah.edu/documentation/software/mpilibraries.php
http://www.nersc.gov/users/computational-systems/cori/running-jobs/example-batch-scripts/
Specs for Dogwood machine: https://help.unc.edu/files/2018/03/dogwood.cheatsheet.pdf
| Scenario | Compiler | netCDF | I/O API | MPI_YN (#P) | Module | Timing(1 Lay, 12 Var)cpu/wall/ratio | Timing(35 Lay, 12 Var) | Timing (35 Lay, 215 Var) | Notes | |
|---|---|---|---|---|---|---|---|---|---|---|
| Gfortran OpenMPI | Gfortran version 6.3 | 4.6.2 | 3.2 | Y (64) | openmpi_3.0.0/gcc_6.3.0 | time mpirun --oversubscribe -np $NPROCS, using srun didn't work | ||||
| Gfortran MPICH | Gfortran version 4.8.1 | 4.6.0 | 3.2 | Y (64) | mpich/3.2.1_1 | Linuxbrew gcc (it is performing like it is running on 1 processor..) | ||||
| Intel OpenMPI | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (4) | openmpi_3.0.0/intel_17.2 | 13326/3388/3.93 | ||||
| Intel OpenMPI | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (16) | openmpi_3.0.0/intel_17.2 | 16090/1016/15/83 | ||||
| Intel OpenMPI | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (64) | openmpi_3.0.0/intel_17.2 | 37868/1465.52/25.8 | ||||
| Intel OpenMPI | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (128) | openmpi_3.0.0/intel_17.2 | |||||
| Intel OpenMPI | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (256) | openmpi_3.0.0/intel_17.2 | |||||
| Intel OpenMPI | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (16) | openmpi_3.1.4/intel_18.2 | 15729/991/15.8 | ||||
| Intel OpenMPI | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (32) | openmpi_3.1.4/intel_18.2 | 47948/1851/25.9 | ||||
| Intel OpenMPI (limit stacksize unlimited) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (32) | openmpi_3.1.4/intel_18.2 | 8257/522/15.8 | ||||
| Intel OpenMPI | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (64) | openmpi_3.1.4/intel_18.2 | 37446/1447/25.8 | ||||
| Intel OpenMPI (stacksize unlimited) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (64) | openmpi_3.1.4/intel_18.2 | 39237/1544.9/25.4 | ||||
| Intel OpenMPI (stacksize unlimited and #SBATCH --exclusive) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (16) | openmpi_3.1.4/intel_18.2 | 15233/958/15.9 | ||||
| Intel OpenMPI (stacksize unlimited and #SBATCH --exclusive) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (32) | openmpi_3.1.4/intel_18.2 | 17540/585/29.9 | ||||
| Intel OpenMPI (stacksize unlimited and #SBATCH --exclusive) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (64) | openmpi_3.1.4/intel_18.2 | 10126/349/29.0 | ||||
| Intel OpenMPI (stacksize unlimited and #SBATCH --exclusive) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (64) | openmpi_3.1.4/intel_18.2 | 9345/340/27.38 | ||||
| Intel OpenMPI (stacksize unlimited and #SBATCH --exclusive) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (128) | openmpi_3.1.4/intel_18.2 | 5259/179/29.3 | ||||
| Intel OpenMPI (stacksize unlimited and #SBATCH --exclusive) | Intel Fortran version 18.2 | 4.6.2 | 3.2 | Y (256) | openmpi_3.1.4/intel_18.2 | 3495/121/28.9 | ||||
| Intel MVAPICH2 | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (64) | mvapich2_2.3rc1/intel_17.2 | setenv MV2_ENABLE_AFFINITY 0 see:https://github.com/USEPA/CMAQ/issues/118 | ||||
| Intel MVAPICH2 | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (128) | mvapich2_2.3rc1/intel_17.2 | setenv MV2_ENABLE_AFFINITY 0 see:https://github.com/USEPA/CMAQ/issues/118 | ||||
| Intel MVAPICH2 | Intel Fortran version 17.2 | 4.1.3 | 3.2 | Y (256) | mvapich2_2.3rc1/intel_17.2 | setenv MV2_ENABLE_AFFINITY 0 see:https://github.com/USEPA/CMAQ/issues/118 | ||||
| Scenario | Description | Mechanism | Notes | Timing (64 PE) |
|---|---|---|---|---|
| Benchmark Case | Online emissions processing, inline photolysis, inline lightning using hourly NLDN strike file, windblown dust, surface HONO, bidirectional NH3, no BIDI HG, no potential vorticity scaling | cb6r3_ae7_aq | Pending; LTNGNO InLine, LTNGPARM = N, LOG_START = 2.0 | |
| Halogen Chemistry | Same as Benchmark case with halogen chemistry enabled | cb6r3_ae7_aq | Pending. Turned off the diagnostic file logging. | |
| No Bidi | Same as Benchmark with Hg and NH3 BiDi deactivated | cb6r3_ae7_aq | Pending. set CTM_HGBIDI = N; set ABFLUX = N | |
| Process Analysis | Benchmark case with IPR and IRR | ros3 | Pending. Switch to Rosenbrock solver because EBI solver not supported by PA module; ran with inline process analysis | |
| MOSAIC | Benchmark case with MOSAIC and additional stomatal flux files activated | cb6r3_ae7_aq | Pending. set CTM_MOSAIC = Y; set CTM_FST = Y | |
| New Mechanism Test | Benchmark case with toluene and chlorine chemistry | cb05tucl_ae6 | Pending. | |
| Potential vorticity UTLS exchange | Benchmark case with scaling for STE | cb6r3_ae7_aq | Pending: Uncomment potvortO3 in build. Need PV variable in METCRO3D file | |
| Dust | Benchmark case with dust, including new MODIS FP input | cb6r3_ae7_aq | Pending. setenv CTM_WB_DUST Y; setenv CTM_ERODE_AGLAND Y; setenv CTM_WBDUST_BELD BELD3 | |
| Hourly NLDN | Benchmark with lightning NOx calculated using hourly bNLDN strikes | cb6r3_ae7_aq | Pending; LTNGNO InLine, LTNGPARM = Y, USE_NLDN Y | |
| POA Sensitivity | Benchmark with new POA mechanism | cb6r3_ae7_aq | #set potvortO3 #> potential vorticity from the free troposphere |
QA plots are generated on longleaf using the interactive queue
R script for comparing model output results from different compilers
- module load r/3.4.3
- setenv R_LIBS /nas/longleaf/home/lizadams/R/x86_64-pc-linux-gnu-library/3.4
- cd /proj/ie/proj/CMAS/CMAQ/CMAQv5.3_branch_UNC3/CMAQ_QA
If you are on the login node, your prompt will contain the login node id:
- [lizadams@longleaf-login2 ~]
Start an interactive queue (don't run on the login node), your environment variables and R module will be set up
- srun -p interact --pty /bin/csh
Your login prompt will be something like
- [lizadams@off03 CMAQ_QA]$
Run the R script that compares model output
- R CMD BATCH plot_max_diff_compiler_sens_v5.3beta.R
Plotting the difference in values between the base and sensitivity cases at the column, row, layer of the maximum difference between the variables. | Compilation Testing Plots
