GEOS-Chemv10-01 Online User's Guide

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6. Running GEOS-Chem

After you have completed the following steps, you are ready to run GEOS-Chem.

  1. Downloaded the GEOS-Chem source code (Chapter 2.2)
  2. Downloaded the GEOS-Chem run directories (Chapter 2.3)
  3. Downloaded the GEOS-Chem shared data directories (Chapter 2.4)
  4. Installed the netCDF library with the GEOS-Chem-Libraries installer program (Chapter 2.5)
  5. Compiled the GEOS-Chem source code into an executable file (Chapter 3)

First, doublecheck that you have customized the input files in your run directory by reviewing the options in Chapter 5.2 for the simulation that you wish to perform. To help you do this, we provide simulation-specific checklists in Section 6.1 of this chapter that you can follow.

Once you are ready to run GEOS-Chem, see Section 6.2 for a description of how to run the GEOS-Chem model interactively or with the LSF, PBS, and SGE batch queue systems. If you encounter errors during your run, see Section 6.3 for common GEOS-Chem errors and links to helpful resources on the GEOS-Chem wiki.

6.1 Input File Checklists for GEOS-Chem Model Simulations

Use the following links to skip ahead to a desired section:

  1. NOx-Ox-hydrocarbon-aerosol chemistry simulation (and variants)
  2. Rn-Pb-Be simulation
  3. Tagged O3 simulation
  4. Tagged CO simulation
  5. Aerosol-only
  6. Mercury simulation
  7. POPs simulation
  8. CH4 simulation
  9. CO2 simulation

6.1.1 Checklist for full-chemistry simulations

You have several chemistry mechanism options for the NOx-Ox-Hydrocarbon-aerosol (a.k.a. "full-chemistry") simulation:

  1. The NOx-Ox-HC-Aer-Br (aka "tropchem") mechanism (now including bromine chemistry, methyl peroxy nitrate chemistry, isoprene chemistry)
  2. The UCX mechanism
  3. The secondary organic aerosol (SOA) mechanism, and
  4. The benchmark mechanism (= the UCX mechanism + the SOA mechanism). This mechanism will be selected by default when you run GEOS-Chem "out-of-the-box".

For more information about these mechaisms, see Appendix 1.1.

We present a checklist of how to select options for each of these mechanisms in your input.geos file.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

Type of simulation      : 3

Number of Tracers       : 119

This specifies the number of tracers in the benchmark mechanism, which is the default simulation. Then make sure that the tracer names, molecular weights, and constituent species are correctly listed in input.geos. See the Tracer Menu section of Chapter 5 for more information.

A list of tracers corresponding to each chemistry mechanism is presented in Appendix 1.1. If you are using a different chemistry mechanism, then you will have to change the number of tracers accordingly:

A list of tracer names for all mechanisms is presented in Appendix 1.1.

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : T

Convect Timestep (min)  : 30

Set the convection timestep to the same value as the transport timestep.

Select the non-local PBL mixing option, which performs the boundary layer mixing more accurately.

Emissions Menu:

If you are running GEOS-Chem with the benchmark mechamism or the UCX mechanism, then set these switches in the EMISSIONS MENU section of input.geos as follows:

%%% EMISSIONS MENU %%%  :

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

 => 1ppt MBL BRO Sim.?  : F

Switches for UCX        :---

 => Use CH4 emissions?  : F

 => Turn on surface BCs :---

    => CH4?             : T

    => OCS?             : T

    => CFCs?            : T

    => Cl species?      : T

    => Br species?      : F

    => N2O?             : T

 => Set initial glob MRs:---

    => strat. H2O?      : T

    => CH4?             : T

    => OCS?             : T

    => CFCs?            : T

    => Cl species?      : T

    => strat Bry (GCCM)?: T

    => Br species?      : F

    => strat. Br?       : F

    => strat. NOx/HNO3? : T

    => N2O?             : T

    => strat. SO4?      : T

 => CFC emission year   : 0

NOTES:

  1. Set the emission timestep to the same value as the chemistry timestep. The chemistry solver treats emissions as reactions having net production; therefore, emissions must be done as often as chemistry.

  2. The emission inventories used in GEOS-Chem are now set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

  3. If you must split up your GEOS-Chem simulation into several stages (i.e. in order to stay within the computational time limits of your system), then you should set the switches under "Set initial global MRs" to F for all runs after your first run. For more information, please see our Spinning up the stratosphere post on the GEOS-Chem wiki.

If you are running GEOS-Chem with the NOx-Ox-HC-Aer-Br (aka "tropchem") mechanism or the SOA mechanism, then you can disable the various options for the UCX chemistry, as follows:

%%% EMISSIONS MENU %%%  :

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

 => 1ppt MBL BRO Sim.?  : F

Switches for UCX        :---

 => Use CH4 emissions?  : F

 => Turn on surface BCs :---

    => CH4?             : F

    => OCS?             : F

    => CFCs?            : F

    => Cl species?      : F

    => Br species?      : F

    => N2O?             : F

 => Set initial glob MRs:---

    => strat. H2O?      : F

    => CH4?             : F

    => OCS?             : F

    => CFCs?            : F

    => Cl species?      : F

    => strat Bry (GCCM)?: F

    => Br species?      : F

    => strat. Br?       : F

    => strat. NOx/HNO3? : F

    => N2O?             : F

    => strat. SO4?      : F

 => CFC emission year   : 0

Aerosol Menu:

If you are running GEOS-Chem with the benchmark mechanism (which is the default mechanism) or the UCX mechanism, then set these switches in the AEROSOL MENU section:

%%% AEROSOL MENU %%%    :

Online SULFATE AEROSOLS : T

Online CRYST/AQ AEROSOLS: F

Online CARBON  AEROSOLS : T

Online 2dy ORG AEROSOLS : T

 => Semivolatile POA?   : F

Online DUST    AEROSOLS : T

Online SEASALT AEROSOLS : T

 => SALA radius bin [um]: 0.01 0.5

 => SALC radius bin [um]: 0.5  8.0

Online dicarb. chem.    : F

Settle strat. aerosols  : T

Online PSC AEROSOLS     : T

Allow homogeneous NAT?  : F

NAT supercooling req.(K): 3.0

Ice supersaturation req.: 1.2

Perform PSC het. chem.? : T

Calc. strat. aero. OD?  : T

If you are running GEOS-Chem with NOx-Ox-HC-Aer-Br (aka "tropchem) mechanism or the SOA mechanism then you can turn off the UCX-specific switches:

Settle strat. aerosols  : F

Online PSC AEROSOLS     : F

. . .

Perform PSC het. chem.? : F

Calc. strat. aero. OD?  : F

Also, if you are running with the SOA mechanism, you must turn on this switch:

Online 2dy ORG AEROSOLS : T

And if you want to use the semivolatile POA option in the SOA mechanism, you must turn on this switch:

 => Semivolatile POA?   : T

If you switch the other aerosol types (sulfate, carbon, dust, seasalt) to to F (false), GEOS-Chem will attempt to read these from disk as monthly-mean quantities. NOTE: These offline aerosol fields may not be archived for the GEOS-5 / MERRA / GEOS-FP vertical grids.

The crystalline sulfur and aqueous aerosols have not been implemented into GEOS-Chem at this point. They will be added into a future version.

Deposition Menu:

Turn on Dry Deposition? : T

Turn on Wet Deposition? : T

Dry deposition occurs on every chemistry timestep (typically 60 minutes). Wet deposition takes place on every transport timestep (see above).

Chemistry Menu:

If you are running GEOS-Chem with the benchmark mechanism (which is the default mechanism) or the UCX mechanism, then set these switches in the CHEMISTRY MENU section of input.geos:

%%% CHEMISTRY MENU %%%  : 

Turn on Chemistry?      : T

Use linear. strat. chem?: T

 => Use Linoz for O3?   : T

Use UCX strat. chem?    : T

Online CH4 chemistry?   : T

Active strat. H2O?      : T

Chemistry Timestep [min]: 60

Read and save CSPEC_FULL: F

 => CSPEC rst filename? : spec_rst.geosfp_4x5_benchmark.YYYYMMDDhh

USE solver coded by KPP : T

Online O3 for FAST-JX?  : T

Gamma HO2               : 0.2

If you are running GEOS-Chem with the NOx-Ox-HC-Aer-Br (aka "tropchem") mechanism or the SOA mechanism, you can turn-off the UCX-specific switches. You can also choose to use the KPP solver instead of SMVGEAR:

Use UCX strat. chem?    : F

Online CH4 chemistry?   : F

Active strat. H2O?      : F

. . .

USE solver coded by KPP : T or F (your preference)

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry timestep wiki page for more information.

Select the linear stratospheric chemistry option. We also recommend choosing the Linoz stratospheric ozone chemistry option as well. If you turn off Linoz, then GEOS-Chem will revert to using Synoz (synthetic stratospheric ozone algorithm) instead. If you are using the UCX mechanism, linear chemistry and/or Linoz will be applied in the mesosphere.

We recommend that you generate chemical species restart files by setting Read and save CSPEC_FULL to T (true). You may have to split your GEOS-Chem simulation into several stages in order to fit within the time limits imposed by your batch queuing system. Turning this option on will preserve the chemical species concentrations (stored in the CSPEC array) for the start of the next run stage.

You can switch from SMVGEAR II to KPP by toggling the USE solver coded by KPP option to T (true). If you use KPP, pick the Rosenbrock solver option. The Rosenbrock solver scales better than the SMVGEAR II solver.

Radiation Menu:

If you are running GEOS-Chem with the RRTMG radiative transfer model, then set these switches in the RADIATION MENU of input.geos:

AOD Wavelength (nm)     : 550

Turn on RRTMG?          : F

Calculate LW fluxes?    : F

Calculate SW fluxes?    : F

Clear-sky flux?         : F

All-sky flux?           : F

Radiation Timestep [min]: 180

Species fluxes          : 0 0 0 0 0 0 0 0 0 1

 ---[O3,ME,SU,NI,AM,BC,OA,SS,DU,PM]

If you have included the UCX mechanism, then you will need to add an additional entry (0 or 1) at the end of the species fluxes line for stratospheric aerosols.

Species fluxes          : 0 0 0 0 0 0 0 0 0 1 0

 ---[O3,ME,SU,NI,AM,BC,OA,SS,DU,PM,ST]

You may specify up to three AOD wavelengths (in nm) for the aerosol optical properties. The recommended value is 550 nm.

If you want to use the online radiative transfer calculations from RRTMG, you must compile GEOS-Chem with RRTMG=yes and toggle the entries in this menu to T as needed. Running with online radiative calculations is computationally expensive, so we recommend using a radiation timestep of 180 min. In all cases, the radiation timesetp should be a multiple of the transport timestep. See the GCRT User's Guide for more information.

Output Menu:

%%% OUTPUT MENU %%%     : 123456789.123456789.123456789.1--1=ZERO+2=BPCH

Schedule output for JAN : 3000000000000000000000000000000

Schedule output for FEB : 30000000000000000000000000000

Schedule output for MAR : 3000000000000000000000000000000

Schedule output for APR : 300000000000000000000000000000

Schedule output for MAY : 3000000000000000000000000000000

Schedule output for JUN : 300000000000000000000000000000

Schedule output for JUL : 3000000000000000000000000000000

Schedule output for AUG : 3000000000000000000000000000000

Schedule output for SEP : 300000000000000000000000000000

Schedule output for OCT : 3000000000000000000000000000000

Schedule output for NOV : 300000000000000000000000000000

Schedule output for DEC : 3000000000000000000000000000000

Place a 3 in the column corresponding to the months (rows) and days (columns) of the dates you wish to write output on. These dates represent the start and end dates of your output averaging periods and the dates of restart files you will generate. Note that the timestamp of each output averaging period is always the start time rather than the end time.

Most of the time you will want to generate monthly-mean diagnostic output. To do this, simply make sure that the first day of the each month has a 3 listed there. For example, the above menu settings will direct GEOS-Chem to write the monthly-mean diagnostic output from January to disk at 0 GMT on February 1st, etc. If you would like to save daily diagnostic output to the binary punch file, put a 3 for each day of each month.

Diagnostic Menu:

We list below the most important diagnostics for the full-chemistry simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).

Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L Tracers to print out for each diagnostic

...

ND05: Sulfate prod/loss : 47 all

ND06: Dust aer source   : 1  all

ND07: Carbon aer source : 47 all

ND08: Seasalt aer source: 1  all

...

ND11: Acetone sources   : 47 all

...

ND13: Sulfur sources    : 47 all

...
ND21: Optical depths : 47 all ND22: J-Values : 47 1 2 7 8 9 11 13 14 20 44 46 47 49 50 51 58 59 64 65 => JV time range : 11 13 ND24: E/W transpt flx : 47 all ND25: N/S transpt flx : 47 all ND26: U/D transpt flx : 47 all ...
ND28: Biomass emissions : 1 1 4 5 9 10 11 18 19 20 21 26 30 34 35 ND29: CO sources : 1 all ... ND31: Surface pressure : 48 all ND32: NOx sources : 1 all ... ND34: Biofuel emissions : 1 1 4 5 9 10 11 18 19 20 21 ... ND36: Anthro emissions : 1 1 2 4 5 7 9 10 11 18 19 20 21 ND37: Updraft scav frac : 47 all ND38: Cld Conv scav loss: 47 all ND39: Wetdep scav loss : 47 7 8 20 24 26 27 28 29 30 31 32 34 35 36 37 38 39 40 41 42 43 ...
ND43: Chem prod OH, HO2 : 47 all ==> OH/HO2 time range : 0 24 ND44: Drydep flx/vel : 1 2 3 7 8 9 11 13 14 15 16 17 20 22 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 47 48 50 55 57 58 59 60 61 62 63 64 ND45: Tracer Conc's : 47 all ==> ND45 Time range : 0 24 ND46: Biogenic emissions: 1 all ... ND68: Airmass/Boxheight : 47 all ND69: Surface area : 1 all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

Prod & Loss Menu:

At present, you can only use this diagnostic with the SMVGEAR II solver. If you turn on this diagnostic while using the KPP solver, you will receive an error message asking you to change the settings in input.geos.

Turn on P/L (ND65) diag?: T

# of levels for ND65    : 47

Save O3 P/L (ND20)?     : F

Number of P/L families  : 7 

1st chemical family     : POX: O3 NO2 2NO3 PAN PMN PPN HNO4 3N2O5 HNO3 BrO HOBr BrNO2 2BrNO3 MPN

2nd chemical family     : LOX: O3 NO2 2NO3 PAN PMN PPN HNO4 3N2O5 HNO3 BrO HOBr BrNO2 2BrNO3 MPN

3rd chemical family     : PCO: CO

4th chemical family     : LCO: CO

5th  chemical family    : PBrOx: Br BrO

6th  chemical family    : PBry: 2Br2 Br BrO HOBr HBr BrNO2 BrNO3

7th  chemical family    : LBry: 2Br2 Br BrO HOBr HBr BrNO2 BrNO3

You should save the chemical production and loss of at least the Ox family tracer and CO tracer. List the constituent species of each family.

If you also wish to archive the P(Ox) and L(Ox) rates for a future offline tagged Ox simulation, then you can set the SAVE O3 P/L (ND20)? switch to T and specify the number of levels to save to disk.

For more information about these options, please see the Prod & Loss Menu section of Chapter 5.

Input files

Make sure you have the following input files in your run directory. These files ship with the GEOS-Chem run directories.

Restart files:

For each full-chemistry simulation, you need at least the tracer restart file and the HEMCO restart file. We also recommend saving out the chemical species restart file as well (refer to the Chemistry Menu section above). If there is no CSPEC restart file available at the start of a simulation, GEOS-Chem will use background values from globchem.dat. Use the gamap routine from the GAMAP package to check the integrity of your restart file before starting a simulation.

6.1.2 Checklist for Radon-Lead-Beryllium simulations

Here we present a checklist of how to customize input.geos for the Radon-Lead-Beryllium simulation.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

Type of simulation      : 1

Number of Tracers       : 3

Tracer Entries -------> : TR#  Name  g/mole Tracer Members; () = emitted

Tracer #1               : 1    Rn    222.0

Tracer #2               : 2    Pb    210.0

Tracer #3               : 3    Be7   7.0

Specify each tracer and its molecular weight in this menu.

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : T

Convect Timestep (min)  : 30

Set the convection timestep to the same value as the transport timestep.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

Set the emission timestep to the same value as the chemistry timestep.

The rest of the switches in the emissions menu do not affect the Radon-Lead-Beryllium simulation, so set them all to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Aerosol Menu:

None of the options in this menu affect the Radon-Lead-Beryllium simulation, so set these to F (false).

Deposition Menu:

Turn on Dry Deposition? : T

Turn on Wet Deposition? : T

Dry deposition occurs on every chemistry timestep. Wet deposition takes place on every transport timestep.

Chemistry Menu:

Turn on Chemistry?      : T

Use linear. strat. chem?: F

 => Use Linoz for O3?   : F

Use UCX strat. chem?    : F

Online CH4 chemistry?   : F

Chemistry Timestep [min]: 60

Read and save CSPEC_FULL: F

 => CSPEC rst filename? : none

USE solver coded by KPP : F

Online O3 for FAST-JX?  : F

Gamma HO2               : 0.2

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry timestep wiki page for for more information.

The other chemistry options do not affect the Radon-Lead-Beryllium simulation, so set them all to F (false).

Radiation Menu:

None of the options in this menu affect the Radon-Lead-Beryllium simulation, so set these to F (false)

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

We list below the most important diagnostics for the Radon-Lead-Beryllium simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).

Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L  Tracers to print out for each diagnostic

ND01: Rn/Pb/Be source   : 47 all

ND02: Rn/Pb/Be decay    : 47 all

...

ND24: E/W transpt flx   : 47 1 2 3

ND25: N/S transpt flx   : 47 1 2 3

ND26: U/D transpt flx   : 47 1 2 3

...

ND31: Surface pressure  : 48 1

...

ND37: Updraft scav frac : 47 1 2 3

ND38: Cld Conv scav loss: 47 1 2 3

ND39: Wetdep scav loss  : 47 1 2 3

...
ND44: Drydep flx/vel : 1 all
ND45: Tracer Conc's : 47 all
--> ND45 Time range : 0 24
...
ND68: Airmass/Boxheight : 47 all
ND69: Surface area : 1 all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

6.1.3 Checklist for Tagged O3 simulations

Here we present a checklist of how to customize input.geos for the Tagged O3 simulation.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

You need to carry 2 tracers to run the tagged O3 simulation: Total O3 and Stratospherically produced O3. Specfify these in the Tracer Menu section as follows:

Type of simulation      : 6

Number of Tracers       : 2

Tracer Entries -------> : TR#   Name     g/mole  Tracer Members; () = emitted

Tracer #1               : 1     O3       48.0

Tracer #2               : 2     O3Strt   48.0

You may also specify geographically-tagged tracers:

Type of simulation      : 6

Number of Tracers       : 13

Tracer Entries -------> : TR#   Name     g/mole  Tracer Members; () = emitted

Tracer #1               : 1     O3       48.0

Tracer #2               : 2     O3UT     48.0

Tracer #3               : 3     O3MT     48.0

Tracer #4               : 4     O3ROW    48.0

Tracer #5               : 5     O3PacBL  48.0

Tracer #6               : 6     O3NABL   48.0

Tracer #7               : 7     O3AtlBL  48.0

Tracer #8               : 8     O3EurBL  48.0

Tracer #9               : 9     O3AfrBL  48.0

Tracer #10              : 10    O3AsBL   48.0

Tracer #11              : 11    O3Strat  48.0

Tracer #12              : 12    O3Init   48.0

Tracer #13              : 13    O3USA    48.0

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : F

Convect Timestep (min)  : 30

Set the convection timestep to the same value as the transport timestep.

At present you cannot use the non-local PBL mixing scheme with the tagged O3 simulation. We are working to correct this.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

Set the emission timestep to the same value as the chemistry timestep.

The rest of the switches in the Emissions Menu do not affect the tagged O3 simulation, so set them all to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Deposition Menu:

Turn on Dry Deposition? : T

Turn on Wet Deposition? : F

Dry deposition will be done on every chemistry timestep. Wet deposition is not done for the tagged O3 simulation because O3 is not water-soluble.

Chemistry Menu:

Turn on Chemistry?      : T

Use linear. strat. chem?: T

 => Use Linoz for O3?   : T

Use UCX strat. chem?    : F

Online CH4 chemistry?   : F

Chemistry Timestep [min]: 60

Read and save CSPEC_FULL: F

 => CSPEC rst filename? : none

USE solver coded by KPP : F

Online O3 for FAST-JX?  : F

Gamma HO2               : 0.2

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry timestep wiki page for more information.

Select the linear stratospheric chemistry and Linoz stratospheric ozone chemistry options. These will ensure that the stratospheric ozone gets computed correctly.

The other chemistry options do not have any effect on the tagged O3 simulation, so set them all to F (false).

Radiation Menu:

None of the options in this menu affect the tagged O3 simulation, so set these to F (false)

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

We list below the most important diagnostics for the Tagged Ox simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).

Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L  Tracers to print out for each diagnostic...
ND24: E/W transpt flx : 47 all ND25: N/S transpt flx : 47 all ND26: U/D transpt flx : 47 all ... ND31: Surface pressure : 1 all ... ND36: Anthro emissions : 0 1 4 5 9 10 18 19 21 ... ND44: Drydep flx/vel : 1 all ND45: Tracer Conc's : 47 all ==> ND45 Time range : 0 24 ... ND68: Airmass/Boxheight : 47 all ND69: Surface area : 1 all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

Prod & Loss Menu:

IMPORTANT NOTE! For GEOS-Chem v9-02 and earlier versions, the Tagged O3 simulations will not work unless you switch on the PROD & LOSS diagnostic! We shall correct this issue in a future model version.

For the tagged O3 simulation, the number of production & loss families is TWICE the number of advected tracers. Therefore, for the standard tagged O3 simulation, you should have 4 prod & loss families:

Turn on P/L (ND65) diag?: T

# of levels for ND65    : 38

Save O3 P/L (ND20)?     : F

Number of P/L families  : 26

Prod/Loss Family #1     : POx:      O3

Prod/Loss Family #2     : POxUT:    O3Strt

Prod/Loss Family #3     : LOx:      O3

Prod/Loss Family #4     : LOxStrt:  O3Strt

If, on the other hand, you are using the full tagged O3 simulation, then you should have 26 prod & loss families:

Turn on P/L (ND65) diag?: T

# of levels for ND65    : 47

Save O3 P/L (ND20)?     : F

Number of P/L families  : 26

Prod/Loss Family #1     : PO3:      O3

Prod/Loss Family #2     : PO3UT:    O3UT

Prod/Loss Family #3     : PO3MT:    O3Mt

Prod/Loss Family #4     : PO3ROW:   O3ROW

Prod/Loss Family #5     : PO3PacBL: O3PacBL

Prod/Loss Family #6     : PO3NABL:  O3NABL

Prod/Loss Family #7     : PO3AtlBL: O3AtlBL

Prod/Loss Family #8     : PO3EurBL: O3EurBL

Prod/Loss Family #9     : PO3AfrBL: O3AfrBL

Prod/Loss Family #10    : PO3AsBL:  O3AsBL

Prod/Loss Family #11    : PO3Strat: O3Strat

Prod/Loss Family #12    : PO3Init:  O3Init

Prod/Loss Family #13    : PO3USA:   O3USA

Prod/Loss Family #14    : LO3:      O3

Prod/Loss Family #15    : LO3UT:    O3UT

Prod/Loss Family #16    : LO3MT:    O3Mt

Prod/Loss Family #17    : LO3ROW:   O3ROW

Prod/Loss Family #18    : LO3PacBL: O3PacBL

Prod/Loss Family #19    : LO3NABL:  O3NABL

Prod/Loss Family #20    : LO3AtlBL: O3AtlBL

Prod/Loss Family #21    : LO3EurBL: O3EurBL

Prod/Loss Family #22    : LO3AfrBL: O3AfrBL

Prod/Loss Family #23    : LO3AsBL:  O3AsBL

Prod/Loss Family #24    : LO3Strat: O3Strat

Prod/Loss Family #25    : LO3Init:  O3Init

Prod/Loss Family #26    : LO3USA:   O3USA

The order of the production and loss families should be the same as for the advected tracers (i.e. total O3 first, then O3UT, then O3MT, etc).

If you are running GEOS-5 or MERRA simulation with 47 levels, then typically the P(O3) and L(O3) data will be saved on 38 levels. The number of levels for ND65 also determines the size of the arrays used in the Tagged O3 simulation. This is why we use specify 38 levels in the text above.

For more information about these options, please see the Prod & Loss Menu section of Chapter 5.

6.1.4 Checklist for Tagged CO simulations

Here we present a checklist of how to customize input.geos for the current "standard" 17-tracer Tagged CO simulation. In practice, the number of tagged CO tracers varies widely depending on which geographical regions are being studied.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

Type of simulation      : 7

Number of Tracers       : 17

Tracer Entries -------> : TR#   Name    g/mole Tracer Members; () = emitted

Tracer #1               : 1     CO      28.0   (CO)

Tracer #2               : 2     COus    28.0

Tracer #3               : 3     COeur   28.0

Tracer #4               : 4     COasia  28.0

Tracer #5               : 5     COoth   28.0

Tracer #6               : 6     CObbam  28.0

Tracer #7               : 7     CObbaf  28.0

Tracer #8               : 8     CObbas  28.0

Tracer #9               : 9     CObboc  28.0

Tracer #10              : 10    CObbeu  28.0

Tracer #11              : 11    CObbna  28.0

Tracer #12              : 12    COch4   28.0

Tracer #13              : 13    CObiof  28.0

Tracer #14              : 14    COisop  28.0

Tracer #15              : 15    COmono  28.0

Tracer #16              : 16    COmeoh  28.0

Tracer #17              : 17    COacet  28.0

Note that the first tracer is total CO and is just named CO. The names of the other tagged CO tracers specify the geographical region from which they are emitted.

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : T

Convect Timestep (min)  : 30

Set the convection timestep to the same value as the transport timestep.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

Set the emission timestep to the same value as the chemistry timestep.

The rest of the switches in the Emissions Menu do not affect the tagged O3 simulation, so set them all to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Aerosol Menu:

None of the options in this menu affect the tagged CO simulation, so set them all to F (false).

Deposition Menu:

Turn on Dry Deposition? : T

Turn on Wet Deposition? : F

CO will dry-deposit to the surface, so you must turn dry deposition on to account for this. CO is not water-soluble, so turn off wet deposition.

Chemistry Menu:

Turn on Chemistry?      : T

Use linear. strat. chem?: T

 => Use Linoz for O3?   : F

Use UCX strat. chem?    : F

Online CH4 chemistry?   : F

Chemistry Timestep [min]: 60

Read and save CSPEC_FULL: F

 => CSPEC rst filename? : none

USE solver coded by KPP : F

Online O3 for FAST-JX?  : F

Gamma HO2               : 0.2

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry time step wiki page for more information.

Select the linear stratospheric chemistry option, which will properly set the stratospheric boundary conditions for CO. You can set the Linoz stratospheric chemistry algorithm option to false because it only applies to ozone.

The rest of the options in this menu have no affect on the tagged CO simulation, so set them to F (false).

Radiation Menu:

None of the options in this menu affect the tagged CO simulation, so set these to F (false)

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

We list below the most important diagnostics for the Tagged CO simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).

Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L  Tracers to print out for each diagnostic

ND24: E/W transpt flx   : 47 all

ND25: N/S transpt flx   : 47 all

ND26: U/D transpt flx   : 47 all

ND28: Biomass emissions : 1  4

ND29: CO sources        : 1  all

ND31: Surface pressure  : 48 all

ND34: Biofuel emissions : 1  4

ND36: Anthro emissions  : 0  4

ND45: Tracer Conc's     : 47 all

  ==> ND45 Time range   :    0 24

ND68: Airmass/Boxheight : 47 all

ND69: Surface area      : 1  all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

Prod & Loss Menu:

Turn on P/L (ND65) diag?: T

# of levels for ND65    : 47

Save O3 P/L (ND20)?     : F
Number of P/L families : 22 Prod/Loss Family #1 : LCO: CO Prod/Loss Family #2 : PCOus: COus Prod/Loss Family #3 : PCOeur: COeur Prod/Loss Family #4 : PCOasia: COasia Prod/Loss Family #5 : PCOoth: COoth Prod/Loss Family #6 : PCObbam: CObbam Prod/Loss Family #7 : PCObbaf: CObbaf Prod/Loss Family #8 : PCObbas: CObbas Prod/Loss Family #9 : PCObboc: CObboc Prod/Loss Family #10 : PCObbeu: CObbeuP Prod/Loss Family #11 : PCObbna: CObbna Prod/Loss Family #12 : PCOch4: COch4 Prod/Loss Family #13 : PCObiof: CObiof Prod/Loss Family #14 : PCOisop: COisop Prod/Loss Family #15 : PCOmono: COmono Prod/Loss Family #16 : PCOmeoh: COmeoh Prod/Loss Family #17 : PCOacet: COacet Prod/Loss Family #18 : PISOP: ISOP Prod/Loss Family #19 : PCH4: CH4 Prod/Loss Family #20 : PCH3OH: CH3OH Prod/Loss Family #21 : PMONO: MONO Prod/Loss Family #22 : PACET: ACET

For the tagged CO simulation, you must define the following production and loss families:

For more information about these options, please see the Prod & Loss Menu section of Chapter 5.

6.1.5 Checklist for aerosol-only simulations

Here we present a checklist of how to customize input.geos for the aerosol-only simulation (including secondary organic aerosols).

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

Type of simulation      : 10

Number of Tracers       : 47

Tracer Entries -------> : TR#  Name   g/mole   Tracer Members; () = emitted



Tracer #1               :  1   DMS     62.00

Tracer #2               :  2   SO2     64.00

Tracer #3               :  3   SO4     96.00

Tracer #4               :  4   SO4s    96.00

Tracer #5               :  5   MSA     96.00

Tracer #6               :  6   NH3     17.00

Tracer #7               :  7   NH4     18.00

Tracer #8               :  8   NIT     62.00

Tracer #9               :  9   NITs    62.00

Tracer #10              : 10   H2O2    34.00

Tracer #11              : 11   BCPI    12.00

Tracer #12              : 12   OCPI    12.00

Tracer #13              : 13   BCPO    12.00

Tracer #14              : 14   OCPO    12.00

Tracer #15              : 15   DST1    29.00

Tracer #16              : 16   DST2    29.00

Tracer #17              : 17   DST3    29.00

Tracer #18              : 18   DST4    29.00

Tracer #19              : 19   SALA    31.40

Tracer #20              : 20   SALC    31.40

Tracer #21              : 21   MTPA   136.23

Tracer #22              : 22   LIMO   136.23

Tracer #23              : 23   MTPO   136.23

Tracer #24              : 24   TSOG1  150.00

Tracer #25              : 25   TSOG2  150.00

Tracer #26              : 26   TSOG3  150.00

Tracer #27              : 27   TSOG0  150.00

Tracer #28              : 28   TSOA1  150.00

Tracer #29              : 29   TSOA2  150.00

Tracer #30              : 30   TSOA3  150.00

Tracer #31              : 31   TSOA0  150.00

Tracer #32              : 32   ISOG1  150.00

Tracer #33              : 33   ISOG2  150.00

Tracer #34              : 34   ISOG3  150.00

Tracer #34              : 35   ISOA1  150.00

Tracer #36              : 36   ISOA2  150.00

Tracer #37              : 37   ISOA3  150.00

Tracer #38              : 38   BENZ    12.00   (6C)

Tracer #39              : 39   TOLU    12.00   (7C)

Tracer #40              : 40   XYLE    12.00   (8C)

Tracer #41              : 41   ASOG1  150.00

Tracer #42              : 42   ASOG2  150.00

Tracer #43              : 43   ASOG3  150.00

Tracer #44              : 44   ASOAN  150.00

Tracer #45              : 45   ASOA1  150.00

Tracer #46              : 46   ASOA2  150.00

Tracer #47              : 47   ASOA3  150.00





The tracers above consist of sulfate, carbon, mineral dust, sea salt, and secondary organic aerosols. You do not have to use all 47 tracers; you may define any subset of these as you wish. You must also set the appropriate flags T or F in the Aerosol Menu (described below).

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°) or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : T

Convect Timestep (min)  : 30

Set the convection timestep to the same value as the transport timestep.

Select the non-local PBL mixing option, which performs the boundary layer mixing more accurately.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

Set the emission timestep to the same value as the chemistry timestep.

The rest of the switches in the Emissions Menu do not affect the aerosol-only simulation, so set them all to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Aerosol Menu:

Online SULFATE AEROSOLS : T

Online CRYST/AQ AEROSOLS: F

Online CARBON AEROSOLS  : T

Online 2dy ORG AEROSOLS : T

 => Semivolatile POA?   : F

Online DUST AEROSOLS    : T

Online SEASALT AEROSOLS : T

 => SALA radius bin [um]: 0.01 0.5

 => SALC radius bin [um]: 0.5  8.0

Online dicarb. chem.    : F

Settle strat. aerosols  : F

Online PSC AEROSOLS     : F

Allow homogeneous NAT?  : F

NAT supercooling req.(K): 3.0

Ice supersaturation req.: 1.2

Perform PSC het. chem.? : F

Calc. strat. aero. OD?  : F

Deposition Menu:

Turn on Dry Deposition? : T

Turn on Wet Deposition? : T

Dry deposition occurs on every chemistry timestep. Wet deposition takes place on every transport timestep.

Chemistry Menu:

Turn on Chemistry?      : T

Chemistry Timestep [min]: 60

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry time step wiki page for more information.

The other chemistry options do not affect the aerosol-only simulation, so set them to F (false).

Radiation Menu:

AOD Wavelength (nm)     : 550

Turn on RRTMG?          : F

Calculate LW fluxes?    : F

Calculate SW fluxes?    : F

Clear-sky flux?         : F

All-sky flux?           : F

Radiation Timestep [min]: 180

Species fluxes          : 0 0 0 0 0 0 0 0 0 1

 ---[O3,ME,SU,NI,AM,BC,OA,SS,DU,PM]

You may specify up to three AOD wavelengths (in nm) for the aerosol optical properties. The recommended value is 550 nm.

If you want to use the online radiative transfer calculations from RRTMG, you must compile GEOS-Chem with RRTMG=yes and toggle the entries in this menu to T as needed. Running with online radiative calculations is computationally expensive, so we recommend using a radiation timestep of 180 min. In all cases, the radiation timesetp should be a multiple of the transport timestep. See the GCRT User's Guide for more information.

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

We list below the most important diagnostics for the aerosol-only simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).
Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L   Tracers to print out for each diagnostic

...

ND05: Sulfate prod/loss : 47  all

ND06: Dust aer source   : 1   all

ND07: Carbon aer source : 47  all

ND08: Seasalt aer source: 1   all

...

ND13: Sulfur sources    : 0   all

...

ND21: Optical depths    : 47  all

ND22: J-Values          : 47  all

      -- JV time range  :     11  13

ND24: E/W transpt flx   : 47  all

ND25: N/S transpt flx   : 47  all

ND26: U/D transpt flx   : 47  all

...

ND28: Biomass emissions : 0   1 4 5 9 10 11 18 19 20 21 26 30 34 35

...

ND31: Surface pressure  : 48  all

...

ND34: Biofuel emissions : 0   1 4 5 9 10 11 18 19 20 21

...

ND36: Anthro emissions  : 0   1 4 5 9 10 18 19 21

...

ND38: Cld Conv scav loss: 47  all

ND39: Wetdep scav loss  : 47  all

...

ND44: Drydep flx/vel    : 1   all

ND45: Tracer Conc's     : 47  all

  ==> ND45 Time range   :     0 24

ND46: Biogenic emissions: 0   all

...

ND68: Airmass/Boxheight : 47  all

ND69: Surface area      : 1   all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

Other files:

In order to use the aerosol and dust optical depth diagnostics (ND21, ND48, ND49, ND50, ND51), then GEOS-Chem must read in the chemistry mechanism and photolysis files.

6.1.6 Checklist for Hg simulations

We present a checklist of how to customize input.geos for the mercury simulation.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

Type of simulation      : 11

Number of Tracers       : 87 

Tracer Entries -------> : TR#   Name       g/mole Tracer Members; () = emitted

Tracer #1               :   1   Hg0        201.0

Tracer #2               :   2   Hg2        201.0

Tracer #3               :   3   HgP        201.0

Tracer #4               :   4   Hg0_can    201.0

Tracer #5               :   5   Hg0_usa    201.0

Tracer #6               :   6   Hg0_cam    201.0

Tracer #7               :   7   Hg0_sam    201.0

Tracer #8               :   8   Hg0_waf    201.0

Tracer #9               :   9   Hg0_eaf    201.0

Tracer #10              :  10   Hg0_saf    201.0

Tracer #11              :  11   Hg0_naf    201.0

Tracer #12              :  12   Hg0_eur    201.0

Tracer #13              :  13   Hg0_eeu    201.0

Tracer #14              :  14   Hg0_sov    201.0

Tracer #15              :  15   Hg0_mde    201.0

Tracer #16              :  16   Hg0_sas    201.0

Tracer #17              :  17   Hg0_eas    201.0

Tracer #18              :  18   Hg0_sea    201.0

Tracer #19              :  19   Hg0_jpn    201.0

Tracer #20              :  20   Hg0_oce    201.0

Tracer #21              :  21   Hg0_so     201.0

Tracer #22              :  22   Hg0_bb     201.0

Tracer #23              :  23   Hg0_geo    201.0

Tracer #24              :  24   Hg0_atl    201.0

Tracer #25              :  25   Hg0_nat    201.0

Tracer #26              :  26   Hg0_sat    201.0

Tracer #27              :  27   Hg0_npa    201.0

Tracer #28              :  28   Hg0_arc    201.0

Tracer #29              :  29   Hg0_ant    201.0

Tracer #30              :  30   Hg0_ocn    201.0

Tracer #31              :  31   Hg0_str    201.0

Tracer #32              :  32   Hg2_can    201.0

Tracer #33              :  33   Hg2_usa    201.0

Tracer #34              :  34   Hg2_cam    201.0

Tracer #35              :  35   Hg2_sam    201.0

Tracer #36              :  36   Hg2_waf    201.0

Tracer #37              :  37   Hg2_eaf    201.0

Tracer #38              :  38   Hg2_saf    201.0

Tracer #39              :  39   Hg2_naf    201.0

Tracer #40              :  40   Hg2_eur    201.0

Tracer #41              :  41   Hg2_eeu    201.0

Tracer #42              :  42   Hg2_sov    201.0

Tracer #43              :  43   Hg2_mde    201.0

Tracer #44              :  44   Hg2_sas    201.0

Tracer #45              :  45   Hg2_eas    201.0

Tracer #46              :  46   Hg2_sea    201.0

Tracer #47              :  47   Hg2_jpn    201.0

Tracer #48              :  48   Hg2_oce    201.0

Tracer #49              :  49   Hg2_so     201.0

Tracer #50              :  50   Hg2_bb     201.0

Tracer #51              :  51   Hg2_geo    201.0

Tracer #52              :  52   Hg2_atl    201.0

Tracer #53              :  53   Hg2_nat    201.0

Tracer #54              :  54   Hg2_sat    201.0

Tracer #55              :  55   Hg2_npa    201.0

Tracer #56              :  56   Hg2_arc    201.0

Tracer #57              :  57   Hg2_ant    201.0

Tracer #58              :  58   Hg2_ocn    201.0

Tracer #59              :  59   Hg2_str    201.0

Tracer #60              :  60   HgP_can    201.0

Tracer #61              :  61   HgP_usa    201.0

Tracer #62              :  62   HgP_cam    201.0

Tracer #63              :  63   HgP_sam    201.0

Tracer #64              :  64   HgP_waf    201-0

Tracer #65              :  65   HgP_eaf    201.0

Tracer #66              :  66   HgP_saf    201.0

Tracer #67              :  67   HgP_naf    201.0

Tracer #68              :  68   HgP_eur    201.0

Tracer #69              :  69   HgP_eeu    201.0

Tracer #70              :  70   HgP_sov    201.0

Tracer #71              :  71   HgP_mde    201.0

Tracer #72              :  72   HgP_sas    201.0

Tracer #73              :  73   HgP_eas    201.0

Tracer #74              :  74   HgP_sea    201.0

Tracer #75              :  75   HgP_jpn    201.0

Tracer #76              :  76   HgP_oce    201.0

Tracer #77              :  77   HgP_so     201.0

Tracer #78              :  78   HgP_bb     201.0

Tracer #79              :  79   HgP_geo    201.0

Tracer #80              :  80   HgP_atl    201.0

Tracer #81              :  81   HgP_nat    201.0

Tracer #82              :  82   HgP_sat    201.0

Tracer #83              :  83   HgP_npa    201.0

Tracer #84              :  84   HgP_arc    201.0

Tracer #85              :  85   HgP_ant    201.0

Tracer #86              :  86   HgP_ocn    201.0

Tracer #87              :  87   HgP_str    201.0

Tracers 1-3 are global totals of Hg0, Hg2, HgP.

Tracers 4-87 are geographically tagged tracers of Hg0, Hg2, HgP. These are named accordingly to reflect which geographical region they are emitted from.

If you wish to set up a simulation with only the total Hg tracers, then:

  1. List Tracers 1-3 in the input.geos file
  2. Omit Tracers 4-87 from the input.geos file
  3. You also have the option to run with the Global Terrestrial Mercury Model option (if you have compiled GEOS-Chem with the GTMM_Hg C-preprocessor switch).
  4. For more information about the GTMM model, please refer to this document.

If you wish to set up a simulation with the tagged tracers, then

  1. Specify Tracers 1-87 in the input.geos file
  2. NOTE: The Global Terrestrial Mercury Model is not enabled for tagged simulation. GTMM can be used when running the total tracers only.

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : T

Convect Timestep (min)  : 30

Set the convection timestep to the same value as the transport timestep.

Select the non-local PBL mixing option, which performs the boundary layer mixing more accurately.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

Set the emission timestep to the same value as the chemistry timestep.

The rest of the switches in the Emissions Menu do not affect the mercury simulation, so set them all to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Aerosol Menu:

None of the switches in this menu affect the mercury simulation, so set them to F (false).

Deposition Menu:

Turn on Dry Deposition? : T

Turn on Wet Deposition? : T

Dry deposition occurs on every chemistry timestep. Wet deposition takes place on every transport timestep.

Chemistry Menu:

Turn on Chemistry?      : T

Chemistry Timestep [min]: 60

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°) or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry time step wiki page for more information.

All of the other options in this menu do not affect the mercury simulation, so set them all to F (false).

Radiation Menu:

None of the options in this menu affect the mercury simulation, so set these to F (false)

Mercury Menu:


Use anthro Hg emiss for : 2006

Use future emissions?   : PRESENT

Error check tag/tot Hg? : F

Use dynamic ocean Hg?   : T

Preindustrial sim?      : F

Ocean Hg restart file   : ocean_rst_geos5_4x5_Hg.YYYYMMDDhh

Use GTMM soil model?    : F

GTMM Hg restart file    : GTM.totHg.YYYYMMDDhh

Whenever you use the dynamic ocean, you need to specify an ocean restart file.

For more information about the GTMM model, please refer to this document.

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

We list below the most important diagnostics for the mercury simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).

Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L  Tracers to print out for each diagnostic

...

ND03: Hg emissions, P/L : 47  all

...

ND24: E/W transpt flx   : 47  all

ND25: N/S transpt flx   : 47  all

ND26: U/D transpt flx   : 47  all

...

ND31: Surface pressure  : 48  all

...

ND38: Cld Conv scav loss: 47  all

ND39: Wetdep scav loss  : 47  all

...

ND44: Drydep flx/vel    : 1   all

ND45: Tracer Conc's     : 47  all

 ==> ND45 Time range    :     0 24

 ...

ND68: Airmass/Boxheight : 47  all

ND69: Surface area      : 1   all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

Prod & Loss Menu:

Turn on P/L (ND65) diag?: F

# of levels for ND65    : 30

Save O3 P/L (ND20)?     : F

Number of P/L families  : 0

Production & loss of tagged mercury tracers are handled in the ND03 diagnostic, so you can turn off all the switches in the Prod & Loss Menu as shown above.

For more information about these options, please see the Prod & Loss Menu section of Chapter 5.

6.1.7 Checklist for POPs simulations

We present a checklist of how to customize input.geos for the POPs simulation.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

You need to use 3 tracers for the POPs simulations: gas-phase POP, OC-bound POP, and BC-bound POP. As of GEOS-Chem v9-02, three polycyclic aromatic hydrocarbons (PAHS) can be modeled.

For phenanthrene (PHE), use:

Type of simulation      : 14

Number of Tracers       : 3                    

Tracer Entries -------> : TR#   Name      g/mole  

Tracer #1               :   1   POPG        178.23

Tracer #2               :   2   POPPOC      178.23

Tracer #3               :   3   POPPBC      178.23

For pyrene (PYR), use:

Type of simulation      : 14

Number of Tracers       : 3                    

Tracer Entries -------> : TR#   Name      g/mole  

Tracer #1               :   1   POPG        202.25

Tracer #2               :   2   POPPOC      202.25

Tracer #3               :   3   POPPBC      202.25

For benzo[a]pyrene (BaP), use:

Type of simulation      : 14

Number of Tracers       : 3                    

Tracer Entries -------> : TR#   Name      g/mole  

Tracer #1               :   1   POPG        252.31

Tracer #2               :   2   POPPOC      252.31

Tracer #3               :   3   POPPBC      252.31

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : T

Convect Timestep (min)  : 30

Set the convection timestep to the same value as the transport timestep.

Select the non-local PBL mixing option, which performs the boundary layer mixing more accurately.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 60

HEMCO Input file        : HEMCO_Config.rc

Set the emission timestep to the same value as the chemistry timestep.

The rest of the switches in the Emissions Menu do not affect the POPs simulation, so set them all to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Aerosol Menu:

None of the switches in this menu affect the POPs simulation, so set them to F (false).

Deposition Menu:

Turn on Dry Deposition? : T

Turn on Wet Deposition? : T

Dry deposition occurs on every chemistry timestep. Wet deposition takes place on every transport timestep.

Chemistry Menu:

Turn on Chemistry?      : T

Chemistry Timestep [min]: 60

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry time step wiki page for more information.

All of the other options in this menu do not affect the POPs simulation, so set them all to F (false).

Radiation Menu:

None of the options in this menu affect the POPs simulation, so set these to F (false)

POPs Menu:

For phenanthrene (PHE), use:

POP type [PHE,PYR,BAP]  : PHE

Chemistry proceesing on?: T

POP_XMW                 : 178d-3

POP_KOA                 : 4.37d7

POP_KBC                 : 1d10

POP_K_POPG_OH           : 2.70d-11

POP_K_POPG_O3A          : 5d-4

POP_K_POPG_O3B          : 2.15d15

POP_HSTAR               : 2.35d1

POP_DEL_H               : -74d3

POP_DEL_Hw              : -5.65d3

For pyrene (PYR), use:

POP type [PHE,PYR,BAP]  : PYR

Chemistry proceesing on?: T

POP_XMW                 : 202d-3

POP_KOA                 : 7.24d8

POP_KBC                 : 1d11

POP_K_POPG_OH           : 5.00d-11

POP_K_POPG_O3A          : 7d-4

POP_K_POPG_O3B          : 3d15

POP_HSTAR               : 7.61d1

POP_DEL_H               : -87d3

POP_DEL_Hw              : -5.17d3

For benzo[a]pyrene (BaP), use:

POP type [PHE,PYR,BAP]  : BAP

Chemistry proceesing on?: T

POP_XMW                 : 252d-3

POP_KOA                 : 3.02d11

POP_KBC                 : 7.94d13

POP_K_POPG_OH           : 50d-12

POP_K_POPG_O3A          : 5.5d-3

POP_K_POPG_O3B          : 2.8d15

POP_HSTAR               : 1.23d3

POP_DEL_H               : -11d4

POP_DEL_Hw              : -5.65d3

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

We list below the most important diagnostics for the POPs simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).

Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L  Tracers to print out for each diagnostic

...

ND24: E/W transpt flx   : 47  all

ND25: N/S transpt flx   : 47  all

ND26: U/D transpt flx   : 47  all

...

ND37: Updraft scav frac : 47  all

ND38: Cld Conv scav loss: 47  2 3

ND39: Wetdep scav loss  : 47  2 3

...

ND44: Drydep flx/vel    : 1   all

ND45: Tracer Conc's     : 47  all

 ==> ND45 Time range    :     0 24

 ...

ND53: POPs Emissions    : 47   all

 ...

ND68: Airmass/Boxheight : 47  all

ND69: Surface area      : 1   all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

Prod & Loss Menu:

Turn on P/L (ND65) diag?: F

# of levels for ND65    : 30

Save O3 P/L (ND20)?     : F

Number of P/L families  : 0

Production & loss of POPs tracers are handled in the ND53 diagnostic, so you can turn off all the switches in the Prod & Loss Menu as shown above.

For more information about these options, please see the Prod & Loss Menu section of Chapter 5.

6.1.8 Checklist for CH4 simulations

We present a checklist of how to customize input.geos for the methane simulation.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

Type of simulation      : 9

Number of Tracers       : 12

Tracer Entries -------> : TR# Name       g/mole Tracer Members; () = emitted

Tracer #1               : 1   CH4         16.0   CH4

You may also specify tracers tagged by emission source:

Type of simulation      : 9

Number of Tracers       : 12

Tracer Entries -------> : TR# Name       g/mole Tracer Members; () = emitted

Tracer #1               : 1   CH4_tot     16.0   CH4

Tracer #2               : 2   CH4_ga      16.0   CH4

Tracer #3               : 3   CH4_co      16.0   CH4

Tracer #4               : 4   CH4_ef      16.0   CH4

Tracer #5               : 5   CH4_wa      16.0   CH4

Tracer #6               : 6   CH4_bf      16.0   CH4

Tracer #7               : 7   CH4_ri      16.0   CH4

Tracer #8               : 8   CH4_oa      16.0   CH4

Tracer #9               : 9   CH4_bb      16.0   CH4

Tracer #10              : 10  CH4_wl      16.0   CH4

Tracer #11              : 11  CH4_sa      16.0   CH4

Tracer #12              : 12  CH4_on      16.0   CH4

Tracers 1 is global total of CH4. Tracers 2-12 are tagged tracers for each type of emission and are named accordingly.

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 30

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : F

Convect Timestep (min)  : 30
The convection timestep should be the same as the transport timestep.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 60 

HEMCO Input file        : HEMCO_Config.rc

Set the emissions timestep to the same value as the chemistry timestep.

The rest of the switches in the emissions menu do not affect the methane simulation, so set them to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Aerosol Menu:

The CH4 simulation does not use any of the sulfate, carbon, etc. tracers, so you can set all of the switches in the Aerosol Menu section to F (false).

Deposition Menu:

Turn on Dry Deposition? : F

Turn on Wet Deposition? : F

Methane is not subject to deposition, so you can turn these off.

Chemistry Menu:

Turn on Chemistry?      : T

Chemistry Timestep [min]: 60

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry time step wiki page for more information.

Other chemistry options have no effect on the methane simulation, so set them all to F (false).

Radiation Menu:

None of the options in this menu affect the Radon-Lead-Beryllium simulation, so set these to F (false)

Methane Menu:

%%% CH4 MENU %%%        :

Compute CH4 budget?     : F

Use Gas & Oil emis?     : T

Use Coal Mine emis?     : T

Use Livestock emis?     : T

Use Waste emis?         : T

Use Biofuel emis?       : T

Use Rice emis?          : T

Use Ot. Anthro emis?    : T

Use Biomass emis?       : T

Use Wetlands emis?      : T

Use Soil Absorption?    : T

Use Ot. Natural emis?   : T

This menu allows you to turn on/off the individual emission categories for CH4. The CH4 budget computation is thought to be unreliable. If you want to use it anyway, it only works for full month simulations (i.e. you have to start the simulation on the first day of a month and end on a last day of a month).

The switches in this menu tell GEOS-Chem if it needs to get emissions from HEMCO. You must still set the emission inventories in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

We list below the most important diagnostics for the methane simulation. We assume GEOS-5 meteorology with the "reduced" grid (47 vertical levels).

Binary punch file name  : ctm.bpch

Diagnostic Entries ---> : L  Tracers to print out for each diagnostic

...

ND19: CH4 loss          : 47  all

...

ND24: E/W transpt flx   : 47  all

ND25: N/S transpt flx   : 47  all

ND26: U/D transpt flx   : 47  all

...

ND31: Surface pressure  : 48  all

...

ND45: Tracer Conc's     : 47  all

 ==> ND45 Time range    :     0 24

...

ND58: CH4 Emissions     : 1   all

ND60: Wetland Fraction  : 1   all

ND68: Airmass/Boxheight : 47  all

ND69: Surface area      : 1   all

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

Prod & Loss Menu:


Turn on P/L (ND65) diag?: F

# of levels for ND65    : 30

Save O3 P/L (ND20)?     : F

Number of P/L families  : 0

Loss of methane tracers are handled in the ND19 diagnostic, so you can turn off all the switches in the Prod & Loss Menu as shown above.

6.1.9 Checklist for CO2 simulations

We present a checklist of how to customize input.geos for the CO2 simulation.

Simulation Menu:

Specify the start and end times of the model run, as well as data and run directories, etc.

Tracer Menu:

Type of simulation      : 12

Number of Tracers       : 1 

Tracer Entries -------  : TR#  Name  g/mole Tracer Members; () = emitted

Tracer #1               : 1    CO2    44.0  (CO2)

More source tracers can be used if desired for example in the alternate selection, where emission from 1) Total CO2; 2) Fossil Fuel (land) and cement manufacture, 3) Ocean exchange, 4) Balanced Biosphere; 5) Biomass Burning Emissions; 6) Biofuel Burning Emissions; 7) Net Terrestrial Exchange; 8) Ship Emissions; 9) Aviation Emissions; 10) Chemical Source; 11) Chemical Source surface correction.

NOTE: If the restart file and input.geos do not have the same number of tracers, the run will crash before completion.

Type of simulation      : 12

Number of Tracers       : 10

Tracer Entries -------> : TR#  Name  g/mole Tracer Members; () = emitted

Tracer #1               : 1    CO2    44.0

Tracer #2               : 2    CO2    44.0

Tracer #3               : 3    CO2    44.0

Tracer #4               : 4    CO2    44.0

Tracer #5               : 5    CO2    44.0

Tracer #6               : 6    CO2    44.0

Tracer #7               : 7    CO2    44.0

Tracer #8               : 8    CO2    44.0

Tracer #9               : 9    CO2    44.0

Tracer #10              : 10   CO2    44.0

Tracer #11              : 11   CO2    44.0

Configuration for a full tagged-CO2run is shown below (appropriate selections at the end of the CO2 menu are also required).

Tracers 1-11 are as shown above.

Tracer 12 is the background including only Fossil Fuel CO2.

Tracers 13-52 are for 40 geographical regions, tracer 53 is shipping and tracer 54 is aviation.

Remember, if the restart file and input.geos do not have the same number of tracers, the run will crash before completion.

Type of simulation      : 12

Number of Tracers       : 54

Tracer Entries -------> : TR#  Name  g/mole Tracer Members; () = emitted

Tracer #1               : 1    CO2    44.0 

Tracer #2               : 2    CO2    44.0

..

Tracer #53              : 53   CO2    44.0

Tracer #54              : 54   CO2    44.0

Transport Menu:

Turn on Transport       : T

 => Fill Negative Values: T

 => IORD, JORD, KORD    : 3 3 7

Transport Timestep [min]: 15

Set the transport timestep to 30 min (4° x 5°), 15 min (2° x 2.5°), 10 min (0.5° x 0.666°), or 5 min (0.25° x 0.3125°).

Convection Menu:

Turn on Cloud Conv?     : T

Turn on PBL Mixing?     : T

 => Use non-local PBL?  : F

Convect Timestep (min)  : 15

Set the convection timestep to the same value as the transport timestep.

Emissions Menu:

Turn on emissions?      : T

Emiss timestep (min)    : 30

HEMCO Input file        : HEMCO_Config.rc

Set the emission timestep to the same value as the chemistry timestep.

The rest of the switches in the emissions menu do not affect the methane simulation, so set them to F (false).

The emission inventories used in GEOS-Chem are set in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Aerosol Menu:

The CO2 simulation does not use any of the sulfate, carbon, etc. tracers, so you can set all of the switches in the Aerosol Menu section to F (false).

Deposition Menu:

Turn on Dry Deposition? : F

Turn on Wet Deposition? : F

CO2 is not subject to deposition, so you can turn these off.

Chemistry Menu:

Turn on Chemistry?      : T

Chemistry Timestep [min]: 30

We recommend that you set the chemistry timestep to double the transport timestep (this is known as Strang operator splitting). Typical chemistry timesteps are 60 min (4° x 5°), 30 min (2° x 2.5°), 20 min (0.5° x 0.666°), or 10 min (0.25° x 0.3125°). In all cases, the chemistry timestep must be a multiple of the transport timestep. See our Centralized chemistry time step wiki page for more information.

The rest of the switches in this menu do not affect the CO2 simulation, so set them all to F (false).

Radiation Menu:

None of the options in this menu affect the Radon-Lead-Beryllium simulation, so set these to F (false)

CO2 Menu:

Fossil Fuel Emissions   :---

  Generic FF emissions  : F

  Annual FF emissions   : F

  Monthly FF emissions  : T

3-D Chemical Oxid Source: F

Terrestrial Exchange    :---

  CASA daily avg NEP    : F

  CASA diurnal cycle NEP: T

  Net Ter Ex original   : F

  Net Ter Ex climatology: T

Ocean Exchange          :---

  Takahashi 1997        : F

  Takahashi 2009 annual : F

  Takahashi 2009 monthly: T

Ship & Plane Emissions  :---

  EDGAR ship emissions  : F

  ICOADS ship emissions : T

  Aviation emissions 3-D: T

Tagged CO2 runs         :---

  Save Fossil CO2 Bkgrd : F

  Tag Bios/Ocean CO2 reg: F

  Tag Land FF CO2 reg   : F

  Tag Global Ship CO2   : F

  Tag Global Plane CO2  : F

The above CO2 menu configuration shows the defaults for a single tracer run. You can select other options (e.g. the chemical source).

The tagged tracer options have not been selected. A standard tagged tracer configuration is available in the code for 2° x 2.5° simulations but this can be customized by the user or set up for other resolutions by modification of the code and the Regions_land.dat and Regions_ocean.dat files, which reside in the CO2 run directory.

The switches in this menu tell GEOS-Chem if it needs to get emissions from HEMCO. You must still set the emission inventories in the HEMCO_Config.rc file. See the HEMCO User's Guide for more information.

Output Menu:

Schedule days for diagnostic output as described above.

Diagnostic Menu:

The CO2 simulation has its own unique diagnostic (ND04). The CO2 sources 1-7 are 2-D (surface level) and sources 8-10 are 3-D with all model levels.

ND04: CO2 Sources       :  1   1 2 3 4 5 6 7 8 9 10

For more information about these options, please see the Diagnostic Menu section of Chapter 5.

6.2 Running a Regular GEOS-Chem Job

We describe below how to run the GEOS-Chem model with the LSF, PBS, and SGE batch queue systems.

Furthermore, we strongly recommend that you test your simulation with a short (1-hour or 1-day) run before submitting a very long-term GEOS-Chem simulation. You will be better able to detect errors or problems in a short run. You will also avoid wasting precious computer time.

6.2.1 Interactive jobs (no queue system)

If your computer system supports interactive access, then you can run GEOS-Chem from the Unix prompt. (Don't do it yet, please keep reading!)

At the Unix prompt, type:

geos

You will find that the output from GEOS-Chem is printed to the screen. It is better to redirect the GEOS-Chem output to log files. If you use Bourne-again shell (bash), you can type:

geos 1>gc.log 2>gc.error &

This will send GEOS-Chem output (the Unix stdout stream, aka "1") to gc.log and error output (the Unix stderr stream, aka "2") to gc.error. The & specifies that the job will run in the Unix background.

You can combine these into the same file:

geos 1>gc.log 2>&1

or

geos >& gc.log

This last syntax will also work if you use C-shell (csh) or T-shell (tcsh). Of course, the commands that you use for Unix redirection vary depending on which shell you use. Follow this link for a more detailed discussion about Unix redirection.

You may also use the Makefile that is included in run directories copied from the Unit Tester for running GEOS-Chem interactively. See the Creating GEOS-Chem run directories wiki page and the run directory Makefile heading for more information on how to do this.

6.2.2 LSF Batch Queue System

If your computational cluster uses the LSF batch queue system, you can use the following commands to submit, delete, and check the status of GEOS-Chem jobs:

bman                         # prints LSF man pages to stdout

bsub or submit               # submit a batch jobs to a queue

bkill                        # kill batch jobs

bjobs                        # Lists all jobs currently running

bqueues                      # Lists available batch queues

bhist                        # shows history list of submitted jobs

lsload                       # shows % of each machine's resources that

                             #  is currently utilized

You can write a simple GEOS-Chem job script to run GEOS-Chem:

#!/bin/tcsh -f               # Script definition line

cd /scratch/bmy/run.v10-01   # cd to your run dir

rm -f log                    # clear pre-existing log files

time geos > log              # time job; pipe output to log file

exit(0)                      # exit normally

and then save that to a file named job. Select the queue in which you will run GEOS-Chem, and type:

 bsub -q queue-name job

You can check the status of the run by looking at the log file. LSF should also email you when your job is done, or if for any reason it dies prematurely.

6.2.3 PBS Batch Queue System

If your comptational cluster uses the PBS batch queue system, you can use the following commands to submit, delete, and check the status of GEOS-Chem jobs:

qsub              # submits a PBS job 

qstat -Q          # list all available batch queues

qstat -a @machine # list all PBS jobs that are running on 'machine'

qstat -f jobid    # list information about PBS Job jobid

qdel jobid        # Kills PBS Job jobid

xpbs              # Graphical user interface for PBS

Create a simple GEOS-Chem job script (named job), similar to the above example for LSF:

#!/bin/tcsh -f    # Script definition line

cd run.v10-01     # cd to your run dir

rm -f log         # clear pre-existing log files

time geos > log   # time job; pipe output to log file

exit(0)           # exit normally

and then submit this with the qsub command:

qsub -q queue-name -o output-file-name job

The job status command qstat -f jobid sometimes provides a little too much information. Bob Yantosca has written a script called pbstat (this is already installed at Harvard) which condenses the output you get from qstat -f jobid. If you type pbstat at the Unix prompt, you will output similar to:

 --------------------------------------------------------

 PBS Job ID number : 10929.sol

 Job owner : pip@sol

 Job name : run.sh

 Job started on : Sun Aug 10 17:22:21 2003

 Job status : Running

 PBS queue and server : q4x64 on amalthea

 Job is running on : hera/0*4 (R12K processors)

 # of CPUs being used : 4 (max allowed is 4)

 CPU utilization : 394% (ideal max is 400%)

 Elapsed walltime : 22:14:43 (max allowed is 64:00:00)

 Elapsed CPU time : 76:20:40

 Memory usage : 10475844kb (max allowed is 1700Mb)

 VMemory usage : 8244704kb

This allows you to obtain information about your run much more easily. If you type pbstat all, you will obtain information about every job which is running. If you type pbstat userid, then you will get information about all of the jobs that user userid is running.

6.2.4 SGE Batch Queue System

If your computational cluster uses the SGE batch queue system, you can use the following commands to submit, delete, and check the status of GEOS-Chem jobs:

qsub                # submits a SGE job

qconf -spl          # list all available batch queues

qstat -f            # list execution queues and shows the status

                    #  of all your jobs on the current cluster

qstat -f -j jobid   # list information about SGE Job jobid

qdel jobid          # Kills SGE Job jobid

qmon                # Graphical user interface for SGE

Create a simple GEOS-Chem job script (named job), similar to the above examples for LSF and PBS:

#!/bin/tcsh -f      # Script definition line

cd run.v10-01       # cd to your run dir

rm -f log           # clear pre-existing log files

time geos > log     # time job; pipe output to log file

exit(0)             # exit normally

and then submit this with the qsub command:

qsub -pe queue-name NCPUs -o output-file-name job



6.3 Error output

We provide below some general information about GEOS-Chem errors. For the most up-to-date information about specific GEOS-Chem errors and their solutions, please consult the following resources:

6.3.1 I/O (input/output) errors

The GEOS-Chem code supports I/O error trapping. In other words, if an error occurs while reading from a file or writing to a file, the run will display an error message and then exit. Many of the error messages have the following format:

=============================================================== 
I/O Error Number 4001 in file unit 10
Encountered in routine read_bpch2:3
===============================================================

This means that an error (#4001) has occurred while reading from logical file unit 10. The routine where the error occurred is routine READ_BPCH2 (which happens to belong to bpch2_mod.F). The string read_bpch2:3 indicates that the third error trap within READ_BPCH2 was where the error occurred. If you grep for the string read_bpch2:3 in bpch2_mod.F, you will be taken to the offending line of code.

In general, Fortran I/O errors fall into 3 classes:

Error number Meaning
Greater than 0 An I/O error has occurred. Something went wrong during reading or writing.
Equal to 0 The file was read or written normally. No I/O error has occurred.
Less than 0 The end-of-file was reached normally.

For Fortran I/O errors greater than zero, you can deduce the nature of the error from the error number. For example, if you compile GEOS-Chem with the Intel Fortran Compiler, the code will die with error #29 if it tries to read a file that is not on disk (i.e. a "file-not-found" error). However, if you compile GEOS-Chem with the a different compiler, then the same "file-not-found" error will cause the code to die with a different error number. The number that corresponds to each error depends on the compiler that you are using. Check your compiler documentation for a list of the error codes.

Also be sure to visit the GEOS-Chem wiki for the latest information about bugs and fixes!

6.3.2 Other errors

Other kind of errors may occur. For a more detailled discussion about catching and debugging them, visit Debugging GEOS-Chem.

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