As of 31st March 2015 this software is no longer available on the CSF.<\/strong><\/p>\n Materials Studio is a materials modelling and simulation application primarily used by scientists involved in chemical, materials and pharmaceutical development.<\/p>\n Version 5.5 is installed.<\/p>\n This software is licensed for use by only one research group.<\/p>\n You must be in the Access is restricted to a subset of University of Manchester ip addresses. It is possible to use the University wireless to connect, but you if you choose to use wireless you must also run the VPN.<\/p>\n If you are having any access related issues please contact its-ri-team@manchester.ac.uk with your userid, supervisors name and your ip address (if you know it).<\/p>\n You must have the windows Materials Studio client installed on your PC\/laptop and configured to connect to the CSF (configuration notes coming soon). A linux client is not available. Copies of the software for PCs can only be issued by your supervisor.<\/p>\n Q: My job fails to submit. I get the above error and a log file which says:<\/p>\n A: You have set an incorrect combination of queue and ‘Extra Parameters’, please check the instructions on this webpage under ‘Running the Application’. For example, it is very easy to run a series of short test jobs and then forget to remove this option from the ‘Extra Parameters’ when you want to run a 7 day job.<\/p>\n Q: How can I monitor my jobs?<\/p>\n A: There are a number of ways:<\/p>\n Q: A queue I use to use is no longer visible?<\/p>\n A: A configuration change may have been necessary. Please ‘Refresh Gateway Data’ in the Server Console. The current queues will be reflected in the ‘Running the Application’ section of this webpage.<\/p>\n This is possible via the web interface: https:\/\/csf2.itservices.manchester.ac.uk:18888<\/a><\/p>\n Overview As of 31st March 2015 this software is no longer available on the CSF. Materials Studio is a materials modelling and simulation application primarily used by scientists involved in chemical, materials and pharmaceutical development. Version 5.5 is installed. Restrictions on use This software is licensed for use by only one research group. You must be in the matstudio unix group to access the software and your userid must be registered with the Materials Studio.. Read more »<\/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-229","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/229","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=229"}],"version-history":[{"count":11,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/229\/revisions"}],"predecessor-version":[{"id":2349,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/229\/revisions\/2349"}],"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=229"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}Restrictions on use<\/h2>\n
matstudio<\/code> unix group to access the software and your userid must be registered with the Materials Studio software on the CSF.<\/p>\nSet up procedure<\/h2>\n
Running the application<\/h2>\n
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Jobs up to 7 days wallclock<\/h3>\n
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C6100-STD-serial.q<\/code> in the ‘Job Control’ tab of your ‘calculation’ window.<\/li>\nJobs that require up to 48 hours wallclock<\/h3>\n
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\r\n-l twoday\r\n<\/pre>\n<\/li>\n<\/ul>\n
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R410-twoday.q<\/code><\/li>\nJobs that require up to 1 hour wallclock<\/h3>\n
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\r\n-l short\r\n<\/pre>\n<\/li>\n<\/ul>\n
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R410-short.q<\/code><\/li>\nFAQ<\/h2>\n
Job failed during launch process.<\/h3>\n
\r\nERROR: Queuing error: Exiting\r\nERROR: Job failed during launch process, no results downloaded, and project results folder has been removed\r\n<\/pre>\n
Monitoring jobs<\/h3>\n
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\r\nqstat -u accelrys\r\n<\/pre>\n<\/li>\n<\/ul>\n
Missing Queues<\/h3>\n
Changing your materials studio password<\/h3>\n
Further info<\/h2>\n
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