{"id":35,"date":"2021-06-29T03:18:11","date_gmt":"2021-06-29T03:18:11","guid":{"rendered":"https:\/\/sites.tntech.edu\/dcashman\/?page_id=35"},"modified":"2025-12-17T22:10:00","modified_gmt":"2025-12-17T22:10:00","slug":"research-computing","status":"publish","type":"page","link":"https:\/\/sites.tntech.edu\/dcashman\/research-computing\/","title":{"rendered":"Research Computing"},"content":{"rendered":"\n<figure class=\"wp-block-image size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"650\" height=\"415\" src=\"https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2025\/12\/computer_modeling_lab-1.jpg\" alt=\"\" class=\"wp-image-275\" style=\"aspect-ratio:1.5695581662117797;width:670px;height:auto\" srcset=\"https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2025\/12\/computer_modeling_lab-1.jpg 650w, https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2025\/12\/computer_modeling_lab-1-300x192.jpg 300w\" sizes=\"auto, (max-width: 650px) 100vw, 650px\" \/><figcaption class=\"wp-element-caption\">Computer modeling laboratory in LSC-2335.<\/figcaption><\/figure>\n\n\n\n<p>The computer modeling laboratory in the Laboratory Science Commons &#8212; 2335, contains eight Linux workstations designed for a variety of scientific computing needs. Each workstation has a large 24&#8243; LCD display and is hard-wired to the campus ethernet backbone to enable the rapid downloading of large files such as molecular dynamics trajectories. The facility is also equipped with four high definition 80&#8243; LCD displays for teaching and sharing research data in a collaborative environment. These displays are capable of rendering computational models in 3D.<\/p>\n\n\n\n<p>If you are an undergraduate or graduate student that is interested in becoming involved in computational chemistry research, or you are engaged in a research project and desire to add a computational or molecular modeling approach, contact <a href=\"https:\/\/sites.tntech.edu\/dcashman\/contact-the-administrator\/\" data-type=\"page\" data-id=\"32\">Dr. Cashman<\/a>.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>Computer Systems<\/strong><\/h3>\n\n\n\n<p><strong>Dell Optiplex &#8212; 13 Workstations (D01 to D13)<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Intel Core i7-9700 CPU running at 3.00 GHz<\/li>\n\n\n\n<li>32 GB RAM<\/li>\n\n\n\n<li>500 GB solid state drive (local)<\/li>\n\n\n\n<li>2 TB hard drive (local)<\/li>\n\n\n\n<li>nVIDIA Graphics<\/li>\n\n\n\n<li>Opensuse Linux<\/li>\n<\/ul>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>HPC Resources<\/strong><\/h3>\n\n\n\n<p>Tennessee Tech University&#8217;s High Performance Computing (HPC) facility is located in Clement Hall 226. This facility includes the <em><strong>Impulse<\/strong><\/em> cluster, launched in 2017, and the <strong><em>Warp 1<\/em><\/strong> cluster, launched in 2023 (NSF Award: 2127188). Both clusters are managed by Information Technology Services (ITS) and are available to all students, faculty and staff for research intensive computing needs and classes.<\/p>\n\n\n\n<p>The <strong><em>Impulse<\/em><\/strong> cluster includes:<\/p>\n\n\n\n<ol class=\"wp-block-list\">\n<li>42 CPU compute nodes, each with 28 CPU cores (Intel Xeon E5-2680v4, 2.4 GHz) and 64-896 GB RAM.<\/li>\n\n\n\n<li>2 GPU compute nodes, each with 28 CPU cores (Intel Xeon E5-2680v4, 2.4 GHz), 384 GB RAM, and two nVIDIA K80 GPUs (presented as four GPU devices).<\/li>\n\n\n\n<li>56 Gb non-blocking InfiniBand network.<\/li>\n<\/ol>\n\n\n\n<p>The <strong><em>Warp 1<\/em><\/strong> cluster includes:<\/p>\n\n\n\n<ol class=\"wp-block-list\">\n<li>10 GPU compute nodes, each with 128 CPU cores (AMD Epyc 7713, 2.0 GHz), 512 GB RAM, and two nVIDIA A100 GPUs (presented as four GPU devices).<\/li>\n\n\n\n<li>100 Gb non-blocking InfiniBand network.<\/li>\n<\/ol>\n\n\n\n<p>Both clusters share 175 TB NFS file storage comnected to <strong><em>Impulse&#8217;s<\/em><\/strong> InfiniBand network. Both clusters include a variety of open-source and commercial applications supporting research and education for areas including artificial intelligence\/machine learning, bioinformatics, computational fluid dynamics, finite element analysis, and molecular dynamics; plus support for secure container-based applications promoting reproducible research, computational mobility, and increased compatibility.<\/p>\n\n\n\n<p>All HPC resources are available to all Tennessee Tech researchers after a brief consultation. Researchers can get help with software installation and licensing, working with the queueing system, developing workflows, and necessary end-user training.<\/p>\n\n\n\n<p>The HPC cluster is maintained by Tennessee Tech Information Technology Services (ITS). The HPC cluster administrator is <a href=\"mailto:renfro@tntech.edu\" data-type=\"mailto\" data-id=\"mailto:renfro@tntech.edu\">Dr. Mike Renfro<\/a> (931-372-3601), who served as an NSF XSEDE Campus Champion for Tennessee Tech and continues to work with the NSF ACCESS program facilitating use of several NSF-funded supercomputing clusters around the country, helping researchers find appropriate external resources as needed. Sharon Colson and Jim Moroney work as Student Research Computing and Data Facilitators, assisting with cluster management and working with researchers on adapting their workflows to both the local HPC environment and to other facilities, including NSF ACCESS resource providers. <\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li><a href=\"https:\/\/www.hpc.tntech.edu\/\">TNTECH HPC Cluster Main Website<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/services.tntech.edu\/TDClient\/1878\/Portal\/KB\/ArticleDet?ID=134358 https:\/\/services.tntech.edu\/TDClient\/1878\/Portal\/KB\/ArticleDet?ID=134358\" data-type=\"URL\" data-id=\"http:\/\/bright80.hpc.tntech.edu\/slurm\/\" target=\"_blank\" rel=\"noreferrer noopener\">HPC Introductory Documentation Series<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/teams.microsoft.com\/l\/team\/19%3aqhYmpc6K2S_9k8aKk5M6qVWskyioXHT9PbVAdzxkCAc1%40thread.tacv2\/conversations?groupId=11fa6b12-60b1-4d73-86c1-49fb49889045&amp;tenantId=66fecaf8-3dc0-4d2c-b8b8-eff0ddea46f0\">MS Teams<\/a><\/li>\n\n\n\n<li><a rel=\"noreferrer noopener\" href=\"https:\/\/services.tntech.edu\/TDClient\/1878\/Portal\/Requests\/TicketRequests\/NewForm?ID=EwwIhDonRRw_&amp;RequestorType=Service\" data-type=\"URL\" data-id=\"https:\/\/services.tntech.edu\/TDClient\/1878\/Portal\/Requests\/TicketRequests\/NewForm?ID=EwwIhDonRRw_&amp;RequestorType=Service\" target=\"_blank\">Request an HPC Account<\/a> (you need to login to express.tntech.edu to view)<\/li>\n\n\n\n<li><a href=\"https:\/\/services.tntech.edu\/TDClient\/1878\/Portal\/Requests\/TicketRequests\/NewForm?ID=s2jbAC%7eEZU8_&amp;RequestorType=Service\">Submitting a Trouble Ticket<\/a><\/li>\n<\/ul>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>Poster Printing Resources<\/strong><\/h3>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"alignright size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"350\" height=\"336\" src=\"https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2025\/12\/poster_printer.jpg\" alt=\"\" class=\"wp-image-272\" srcset=\"https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2025\/12\/poster_printer.jpg 350w, https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2025\/12\/poster_printer-300x288.jpg 300w\" sizes=\"auto, (max-width: 350px) 100vw, 350px\" \/><\/figure>\n<\/div>\n\n\n<p>The computer modeling lab in LSC-2335 is equipped with a HP DesignJet T650 large format poster printer for large-format printing of research posters for students, faculty and staff in the Department of Chemistry. This poster printer is capable of printing posters of maximum 35&#8243; high and any length that is needed. There is a Windows workstation in LSC-2335 that will be used for printing to the DesignJet printer. The Volpe Library has information available on designing and printing posters for students <a href=\"https:\/\/www.tntech.edu\/library\/poster.php\" data-type=\"URL\" data-id=\"https:\/\/www.tntech.edu\/library\/poster.php\" target=\"_blank\" rel=\"noreferrer noopener\">here<\/a>.<\/p>\n\n\n\n<p>This printer is primarily for the use of faculty, staff and students in the Department of Chemistry. Non-Chemistry students interesting in having poster printers may contact <a href=\"mailto:dcashman@tntech.edu\">Dr. Cashman<\/a>. The student&#8217;s home department will be internally billed a fee of $20 to cover the cost of paper and supplies (we do not directly accept money from students. The University&#8217;s <a href=\"https:\/\/www.tntech.edu\/ocm\/printing.php\" data-type=\"URL\" data-id=\"https:\/\/www.tntech.edu\/ocm\/printing.php\" target=\"_blank\" rel=\"noreferrer noopener\">Printing Services<\/a> office also offers large format poster printing for a small fee as well.<\/p>\n\n\n\n<p>Contact <a href=\"https:\/\/sites.tntech.edu\/dcashman\/contact-the-administrator\/\" data-type=\"page\" data-id=\"32\">Dr. Cashman<\/a> for questions.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\">Color Printing Resources<\/h3>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"alignright size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"650\" height=\"594\" src=\"https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2021\/10\/HP_ColorLaserJet.jpg\" alt=\"\" class=\"wp-image-174\" style=\"width:330px;height:302px\" srcset=\"https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2021\/10\/HP_ColorLaserJet.jpg 650w, https:\/\/sites.tntech.edu\/dcashman\/wp-content\/uploads\/sites\/140\/2021\/10\/HP_ColorLaserJet-300x274.jpg 300w\" sizes=\"auto, (max-width: 650px) 100vw, 650px\" \/><figcaption class=\"wp-element-caption\">HP Color LaserJet M555DN<\/figcaption><\/figure>\n<\/div>\n\n\n<p>The computer modeling lab is also equipped with a high quality color laserjet printer for publication quality prints. This printer is available for the use of faculty, staff and students in the Department of Chemistry. This printer is compatible with Microsoft Windows, MacOS, and OpenSuse Linux for printing directly from the molecular modeling workstations in the laboratory.<\/p>\n\n\n\n<p>Contact <a href=\"https:\/\/sites.tntech.edu\/dcashman\/derek-j-cashman-ph-d\/\" data-type=\"page\" data-id=\"46\">Dr. Cashman<\/a> for questions on using this resource.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>The computer modeling laboratory in the Laboratory Science Commons &#8212; 2335, contains eight Linux workstations designed for a variety of scientific computing needs. Each workstation has a large 24&#8243; LCD display and is hard-wired to the campus ethernet backbone to &hellip; <a href=\"https:\/\/sites.tntech.edu\/dcashman\/research-computing\/\">Continue reading <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":155,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-35","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/pages\/35","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/users\/155"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/comments?post=35"}],"version-history":[{"count":13,"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/pages\/35\/revisions"}],"predecessor-version":[{"id":277,"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/pages\/35\/revisions\/277"}],"wp:attachment":[{"href":"https:\/\/sites.tntech.edu\/dcashman\/wp-json\/wp\/v2\/media?parent=35"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}