CMAQ version 5.2beta (February 2017 release) Technical Documentation

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Release Notes for CMAQv5.2beta - February 2017

The Community Multiscale Air Quality (CMAQ) modeling system Version 5.2 (CMAQv5.2) is scheduled for release in summer 2017. To facilitate community contributions to this model release, a “Beta” version was created and made available to external collaborators/developers in February 2017. This Beta-version will undergo extensive application and evaluation over the next few months, which may lead to additional changes before the final release this summer.

The CMAQv5.2beta repository is available from the U.S. EPA GitHub CMAQ repository.

Complete documentation for CMAQv5.2beta, including build instructions and technical features are available from the CMAQv5.2beta GitHub page.

Release Testing

The CMAS Center tested the CMAQv5.2beta 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 was tested under different science configurations. The results of the CMAS Center tests including run times for different compilers and configurations are provided below. All tests were conducted with the U.S. EPA Calnex 12km domain July 2, 2011 testing dataset. This dataset is distributed with CMAQv5.2beta to use for benchmarking the model installation.

Two classes of tests:

  • Compiler tests used the default benchmark configuration with different compilers and MPI configurations.
  • Configuration tests used the Portland Group 15.7 OpenMPI compiler to generate executables that exercise different scientific configurations of the release software.

Compiler flags:

  • PGI: -Mfixed -O3 -Mextend
  • GCC: -ffixed-form -ffixed-line-length-132 -O3 -funroll-loops -finit-character=32
  • Intel: -fixed -132 -O3 -override-limits -fno-alias -mp1 -fp-model precise -fp-model source -shared-intel -openmp
  • In the Intel Basic Test: -fixed -132 -O3 -openmp
  • In the NoOpt Tests: -O0 with extend source and fixed line length flags

Compilation Testing Plots

Table 1. CMAQv5.2beta compilation testing manifest
Scenario Compiler netCDF I/O API MPI_YN (#P) MPI CMAQv5.2beta Timing
(HH:MM:SS)
CMAQv5.1 Timing
(HH:MM:SS)
Notes
Gfortran Serial Gfortran version 4.8.1 4.3.3 3.1 (Nov 2015) N N/A 8:19:51 7:35:30 UNC module gcc/4.8.1
Gfortran MVAPICH2 Gfortran version 4.8.1 4.3.2 3.1 (Nov 2015) Y (16) mvapich2-1.7 0:45:55 0:42:40
Intel Serial Intel Fortran version 16.2.0 4.3.2 3.1 (Nov 2015) N N/A 6:01:42 5:10:16 UNC module intel/16.2
Intel OpenMPI (EPA Config) Intel Fortran version 15.0.0 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:34:27 UNC module openmpi_intel/15.0
Intel OpenMPI Intel Fortran version 16.2.0 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:35:29 UNC module openmpi_intel/16.2
Intel MVAPICH2 Intel Fortran version 16.2.0 4.3.2 3.1 (Nov 2015) Y (16) mvapich2-1.7 0:36:34 UNC module mvapich2_intel/16.2
Portland Serial PG Fortran version 16.1 4.3.2 3.1 (Nov 2015) N N/A 7:33:36 6:26:31 UNC module pgi/16.1
Portland OpenMPI PGI Fortran version 15.7 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:40:20 0:36:16 UNC module openmpi_pgi/15.7
Portland MVAPICH2 PGI Fortran version 15.7 4.3.2 3.1 (Nov 2015) Y (16) mvapich2-1.7 0:41:43 0:36:16 UNC module mvapich2_pgi/15.7
Intel OpenMPI (Basic) Intel Fortran version 15.0.0 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:34:27 UNC module openmpi_intel/15.0; basic compiler flags for comparison to PGI and GCC
PGI OpenMPI (NoOpt) PGI Fortran version 15.7 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 1:06:457 UNC module openmpi_pgi/15.7; optimization -O0
Intel OpenMPI (NoOpt) Intel Fortran version 15.0 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 2:00:09 UNC module openmpi_intel/15.0; optimization -O0
Gfortran OpenMPI (NoOpt) Gfortran version 4.8.1 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 UNC module openmpi_gcc/4.8.1; optimization -O0
Portland OpenMPI - Gamma PGI Fortran version 15.7 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:32:33 Gamma release with BC Fix
Intel OpenMPI - Gamma Intel Fortran version 15.0.0 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:27:00 Gamma release with BC Fix
Gfortran OpenMPI - Gamma Gfortran version 4.8.1 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 1:02:36 Gamma release with BC Fix
Portland OpenMPI - Delta PGI Fortran version 15.7 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:32:12 Gamma release with BC/IC & memory leak fix; OpenMPI with 16 CPU
Portland OpenMPI - Delta PGI Fortran version 15.7 4.3.2 3.1 (Nov 2015) Y (1) openMPI-1.4.2 6:09:21 Gamma release with BC/IC & memory leak fix; OpenMPI with 1 CPU
Portland Serial - Delta PGI Fortran version 15.7 4.3.2 3.1 (Nov 2015) N 6:06:24 Gamma release with BC/IC & memory leak fix; serial
Intel OpenMPI - Delta Intel Fortran version 15.0.0 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:24:29 Gamma release with BC/IC & memory leak fix; OpenMPI with 16 CPU
Gfortran OpenMPI - Delta Gfortran version 4.8.1 4.3.2 3.1 (Nov 2015) Y (16) openMPI-1.4.2 0:46:32 Gamma release with BC/IC & memory leak fix; OpenMPI with 16 CPU
Table 2. CMAQv5.2beta configuration testing manifest
Scenario Description Mechanism Notes Timing (16 PE)
Benchmark Case Online emissions processing, inline photolysis, inline lightning from MCIP RC, no windblown dust, surface HONO, bidirectional NH3 and Hg, no potential vorticity scaling cb05e51_ae6_aq Done; LTNGNO InLine, LTNGPARM = N, LOG_START = 2.0 0:40:20
Halogen Chemistry Same as Benchmark case with halogen chemistry enabled cb05eh51_ae6_aq Done. Turned off the diagnostic file logging. 0:47:40
No Bidi Same as Benchmark with Hg and NH3 BiDi deactivated cb05e51_ae6_aq Done. set CTM_HGBIDI = N; set ABFLUX = N 0:37:21
Process Analysis Benchmark case with IPR and IRR ros3 Done. Switch to Rosenbrock solver because EBI solver not supported by PA module; ran with inline process analysis 0:54:10
MOSAIC Benchmark case with MOSAIC and additional stomatal flux files activated cb05e51_ae6_aq Done. set CTM_MOSAIC = Y; set CTM_FST = Y 0:44:02
New Mechanism Test Benchmark case with toluene and chlorine chemistry cb05tucl_ae6_aq Done. 0:40:30
Potential vorticity UTLS exchange Benchmark case with scaling for STE cb05e51_ae6_aq Uncomment potvortO3 in build. Need PV variable in METCRO3D file 0:38:03
Dust Benchmark case with dust, including new MODIS FP input cb05e51_ae6_aq Done. setenv CTM_WB_DUST Y; setenv CTM_ERODE_AGLAND Y; setenv CTM_WBDUST_BELD BELD3 0:38:28
Hourly NLDN Benchmark with lightning NOx calculated using hourly bNLDN strikes cb05e51_ae6_aq Done; LTNGNO InLine, LTNGPARM = Y, USE_NLDN Y 0:40:18
POA Sensitivity Benchmark with new POA mechanism cb05e51_ae6nvPOA_aq Done; 0:34:42