{"id":3471,"date":"2016-12-06T14:54:47","date_gmt":"2016-12-06T14:54:47","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/?page_id=3471"},"modified":"2017-08-10T13:17:16","modified_gmt":"2017-08-10T13:17:16","slug":"wrf-chem","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/wrf-chem\/","title":{"rendered":"WRF-Chem"},"content":{"rendered":"<h2>Overview<\/h2>\n<p><a>WRF-Chem<\/a> is the Weather Research and Forecasting (WRF) model coupled with Chemistry. The model simulates the emission, transport, mixing, and chemical transformation of trace gases and aerosols simultaneously with the meteorology. The model is used for investigation of regional-scale air quality, field program analysis, and cloud-scale interactions between clouds and chemistry.<\/p>\n<p>Versions 3.8 and 3.4.1 are installed on the CSF.<\/p>\n<h3>Compilation information<\/h3>\n<h4>3.8<\/h4>\n<p>WPS + WRF-Chem and their dependency libraries were compiled using Intel 15.0, using the following compiler flags:<\/p>\n<p>-w -O3 -ip -msse2 -axSSE4.2,AVX,CORE-AVX2<\/p>\n<p>See <a href=\"https:\/\/github.com\/gcapes\/software-installation-scripts\/tree\/master\/WRF-Chem\/3.8\/CSF2\">here<\/a> for further detail about how this version was compiled.<\/p>\n<h4>3.4.1\/water_n2o5het_bburn<\/h4>\n<p>WPS + WRF-Chem and their dependency libraries were compiled using Intel 15.0, using the following compiler flags:<\/p>\n<p>-w -O3 -ip -xCORE-AVX2<\/p>\n<p>See <a href=\"https:\/\/github.com\/gcapes\/software-installation-scripts\/tree\/master\/WRF-Chem\/3.4.1\/CSF2\">here<\/a> for further detail about how this version was compiled<\/p>\n<h2>Restrictions on use<\/h2>\n<p>None &#8211; <a href=\"http:\/\/www2.mmm.ucar.edu\/wrf\/users\/public.html\">Public domain software<\/a>.<\/p>\n<h2>Set up procedure<\/h2>\n<p>To access the software you must first load the appropriate modulefile (if you&#8217;re unsure, you probably want the first one):<\/p>\n<pre>module load apps\/intel-15.0\/WRF-Chem\/3.8\r\nmodule load apps\/intel-15.0\/WRF-Chem\/3.4.1\/water_n2o5het_bburn\r\n\r\n<\/pre>\n<h3>Settings applied by the WRF-Chem modulefile<\/h3>\n<p>The WRF-Chem modulefiles will automatically load the following modulefiles, which indicate the dependencies used when compiling WRF-Chem:<\/p>\n<pre>compilers\/intel\/c\/15.0.3\r\ncompilers\/intel\/fortran\/15.0.3\r\nmpi\/intel-15.0\/openmpi\/1.8.3-ib\r\nlibs\/intel-15.0\/hdf\/5\/1.8.16\r\nlibs\/intel-15.0\/zlib\/1.2.8\r\nlibs\/intel-15.0\/netcdf\/4.4.0<\/pre>\n<h2>Running the application<\/h2>\n<p>Please do not run WRF-Chem on the login node. Jobs should be submitted to the compute nodes via batch.<\/p>\n<p><strong>Important:<\/strong>\u00a0you must run WRF-Chem in your\u00a0<em>scratch<\/em>\u00a0directory, not your\u00a0<em>home<\/em>\u00a0directory. WRF-Chem input and output files can be large and you can generate lots of them. You will very likely fill up the\u00a0<em>home<\/em>\u00a0filesystem which is shared with other members of your group. This will cause your jobs and\u00a0<strong>other users\u2019<\/strong>\u00a0jobs to fail \u2013 resulting in very unhappy colleagues! Please\u00a0<strong>run in scratch<\/strong>. Any important results (and small input\/config files such as\u00a0<em>namelist<\/em>\u00a0files and batch jobscripts) can be copied back to\u00a0<em>home<\/em>\u00a0for safe-keeping (home is backed up, scratch is not).<\/p>\n<p>Loading the modulefile gives you an environment variable WRF_CHEM_RUN_DIR, which points to the run directory in the WRF-Chem installation. You should copy the files in this directory into your run directory e.g.<\/p>\n<pre>cp $WRF_CHEM_RUN_DIR your_scratch\/run_dir<\/pre>\n<p>Your run directory should also contain your case-specific input files.<\/p>\n<p>The WRF-Chem and WPS executables were built as\u00a0<em>dmpar<\/em>\u00a0executables during WRF config (i.e. they use MPI). The following are available:<\/p>\n<ul>\n<li>In\u00a0<code>$WRF_DIR\/run\/<\/code>: ndown.exe, nup.exe, real.exe tc.exe wrf.exe<\/li>\n<li>In\u00a0<code>$WPS_DIR\/<\/code>: geogrid.exe, metgrid.exe, ungrib.exe(this one is not an MPI executable)<\/li>\n<\/ul>\n<h3>3.8<\/h3>\n<p>This version of WRF-Chem has been compiled to run on any of the Intel nodes.\u00a0WRF-Chem has been compiled for Real cases (dmpar &#8211; Distributed Memory PARallelism), with basic nesting and the Kinetic Pre-Processor (KPP). As such all &#8220;out of the box&#8221; chemistry schemes are included.<\/p>\n<h3>3.4.1\/water_n2o5het_bburn<\/h3>\n<p>This version of WRF-Chem has been compiled to run on haswell nodes only. WRF-Chem has been compiled for Real cases (dmpar &#8211; Distributed Memory PARallelism), with basic nesting and the Kinetic Pre-Processor (KPP). It includes chemistry schemes written by members of the Gordon McFiggans&#8217; research group in the Centre For Atmospheric Science.<\/p>\n<p>&nbsp;<\/p>\n<h3>Parallel batch job submission<\/h3>\n<p>Make sure you have the modulefile loaded then create a batch submission script. An example job submission script is already in the $WRF_CHEM_RUN_DIR directory. You should modify this script for your own use. The contents of the job script are similar to the example below:<\/p>\n<pre>#!\/bin\/bash\r\n#$ -S bash\r\n#$ -cwd                      # Job will run from the current directory\r\n#$ -V                        # Job will inherit current environment settings\r\n#$ -N wrfchem_job            # Give the job a name of your choosing\r\n\r\n##### Multi-node MPI #####\r\n#$ -pe orte-24-ib.pe 48 -l haswell     \r\n\r\nmpirun -n $NSLOTS .\/wrf.exe  # $NSLOTS is automatically set to number of cores\r\n<\/pre>\n<p>Submit the jobscript using:<\/p>\n<pre>qsub <em>scriptname<\/em><\/pre>\n<p>where <em>scriptname<\/em> is the name of your jobscript.<\/p>\n<h2>Further info<\/h2>\n<ul>\n<li><a href=\"https:\/\/www2.acom.ucar.edu\/wrf-chem\">WRF-Chem website<\/a><\/li>\n<li><a href=\"http:\/\/wiki.rac.manchester.ac.uk\/community\/WRF\/public\/Code_Modification_Guides\">How to modify chemistry schemes<\/a>\u00a0(This will require you to recompile WRF-Chem)<\/li>\n<\/ul>\n<h2>Updates<\/h2>\n<p>None.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Overview WRF-Chem is the Weather Research and Forecasting (WRF) model coupled with Chemistry. The model simulates the emission, transport, mixing, and chemical transformation of trace gases and aerosols simultaneously with the meteorology. The model is used for investigation of regional-scale air quality, field program analysis, and cloud-scale interactions between clouds and chemistry. Versions 3.8 and 3.4.1 are installed on the CSF. Compilation information 3.8 WPS + WRF-Chem and their dependency libraries were compiled using Intel.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/wrf-chem\/\">Read more &raquo;<\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":31,"menu_order":0,"comment_status":"open","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-3471","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3471","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/comments?post=3471"}],"version-history":[{"count":13,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3471\/revisions"}],"predecessor-version":[{"id":4135,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3471\/revisions\/4135"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/31"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/media?parent=3471"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}