{"id":3121,"date":"2016-06-21T10:48:57","date_gmt":"2016-06-21T10:48:57","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/?page_id=3121"},"modified":"2018-04-03T10:04:06","modified_gmt":"2018-04-03T10:04:06","slug":"gpyro","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/gpyro\/","title":{"rendered":"gpyro"},"content":{"rendered":"<h2>Overview<\/h2>\n<p>gpyro (Generalized Pyrolysis Model for Combustible Solids) is an open source computer model that describes the thermal response of solid materials exposed to radiative or convective heating, including thermo-oxidative pyrolysis of the condensed phase. <\/p>\n<p>Version  is installed on the CSF. It was compiled with Intel Compilers 14.0.3 (using <code>-msse2 -axSSE4.2,AVX,CORE-AVX2<\/code> and openmpi 1.8.3.<\/p>\n<h2>Restrictions on use<\/h2>\n<p>This software is open-source so all CSF users may use it. Please ensure you read the National Institute of Standards and Technology (NIST) disclaimer on the <a href=\"http:\/\/reaxengineering.com\/trac\/gpyro\/wiki\/WikiStart\">gpyro website<\/a>.<\/p>\n<h2>Set up procedure<\/h2>\n<p>To access the software you must first load the modulefile:<\/p>\n<p>For single node jobs &#8211; up to 24 cores:<\/p>\n<pre>\r\nmodule load apps\/intel-14.0\/gpyro\/0.8186\r\n<\/pre>\n<p>For multi node jobs:<\/p>\n<pre>\r\nmodule load apps\/intel-14.0\/gpyro\/0.8186-ib\r\n<\/pre>\n<p>or similarly for version 0.8161.<\/p>\n<h2>Running the application<\/h2>\n<ul>\n<li>Please do not run gpyro on the login node. <\/li>\n<li>All Jobs should be submitted to the compute nodes via batch. <\/li>\n<li>It is recommended to run gpyro using multiple cores. <\/li>\n<li>openmp based executables can only be run on a single node.<\/li>\n<li>mpi based executables can be run on a single node or multiple nodes<\/li>\n<li>the <code>$NSLOTS<\/code> in the below examples is important to ensure correct resource utilisation<\/code>\n<li>This software will not run on the AMD nodes.<\/li>\n<\/ul>\n<h3>Parallel batch job submission &#8211; max. 24 cores on a (single compute node) &#8211; openmp based executables<\/h3>\n<p>Make sure you have the modulefile loaded then create a batch submission script, for example:<\/p>\n<pre>\r\n#!\/bin\/bash\r\n#$ -S \/bin\/bash\r\n#$ -cwd\r\n#$ -V\r\n#$ -pe smp.pe 5\r\n\r\nexport OMP_NUM_THREADS=$NSLOTS\r\ngpyro_openmp MY_SIM.data\r\n<\/pre>\n<p>Submit the jobscript using: <\/p>\n<pre>qsub <em>scriptname<\/em><\/pre>\n<p>where <em>scriptname<\/em> is the name of your jobscript. <\/p>\n<p>Other openmp based executables = <code>fds6_gpyro<\/code><\/p>\n<h3>Parallel batch job submission &#8211; max. 24 cores on a (single compute node) &#8211; mpi based executables<\/h3>\n<p>Make sure you have the modulefile loaded then create a batch submission script, for example:<\/p>\n<pre>\r\n#!\/bin\/bash\r\n#$ -S \/bin\/bash\r\n#$ -cwd\r\n#$ -V\r\n#$ -pe smp.pe 5\r\n\r\nmpirun -np $NSLOTS --bind-to none fds6_mpi_gpyro MY_SIM.data\r\n<\/pre>\n<p>Submit the jobscript using: <\/p>\n<pre>qsub <em>scriptname<\/em><\/pre>\n<p>where <em>scriptname<\/em> is the name of your jobscript. <\/p>\n<p>Other mpi based executables = <code>gpyro_propest<\/code><\/p>\n<h3>Parallel batch job submission &#8211; multiple nodes &#8211; 48 cores or more in multiples of 24 (max. 120 cores) &#8211; mpi based executables <\/h3>\n<p>Make sure you have the ib modulefile loaded then create a batch submission script, for example:<\/p>\n<pre>\r\n#!\/bin\/bash\r\n#$ -S \/bin\/bash\r\n#$ -cwd\r\n#$ -V\r\n#$ -pe orte-24-ib.pe 48\r\n\r\nmpirun -np $NSLOTS fds MY_SIM.fds\r\n<\/pre>\n<p>Submit the jobscript using: <\/p>\n<pre>qsub <em>scriptname<\/em><\/pre>\n<p>Other mpi based executables = <code>gpyro_propest<\/code><\/p>\n<h2>Further info<\/h2>\n<ul>\n<li><a href=\"http:\/\/reaxengineering.com\/trac\/gpyro\/wiki\/WikiStart\">gpyro website<\/a><\/li>\n<\/ul>\n<h2>Updates<\/h2>\n<p>None.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Overview gpyro (Generalized Pyrolysis Model for Combustible Solids) is an open source computer model that describes the thermal response of solid materials exposed to radiative or convective heating, including thermo-oxidative pyrolysis of the condensed phase. Version is installed on the CSF. It was compiled with Intel Compilers 14.0.3 (using -msse2 -axSSE4.2,AVX,CORE-AVX2 and openmpi 1.8.3. Restrictions on use This software is open-source so all CSF users may use it. Please ensure you read the National Institute.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/gpyro\/\">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-3121","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3121","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=3121"}],"version-history":[{"count":20,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3121\/revisions"}],"predecessor-version":[{"id":4636,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3121\/revisions\/4636"}],"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=3121"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}