Difference between revisions of "Comp Chem 01"
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==About the Hardware== | ==About the Hardware== | ||
| − | When I first came to Monmouth in 2007, I negotiated startup funds of $25K, thanks to Doc Kieft who encouraged me to make this request as well as assisted in the negotiations with the Dean and the board of trustees. As a part of these funds, i purchased a MacPro and computational software (see below). This was an Intel-based Mac tower that had a "Quad Core" (two 2.66 GHz dual core) Intel Xeon 5150 processor (see specs below). In 2016, this server had a "fatal" hardware crash, no beeps, no nothing (the power supply was fine). I decided to purchase an identical computer from the used market (~$200), swapped hard drives, reconfigured the network and...back up and running. After this crash and as pchem and research students began to rely on this hardware, I decided to upgrade the hardware in 2017. The new computational server is an iMac Pro with an 8-Core, 3.2GHz Intel Xeon W processor. The old server is now the chemistry wiki, from which you are reading this document! | + | When I first came to Monmouth in 2007, I negotiated startup funds of $25K, thanks to Doc Kieft who encouraged me to make this request as well as assisted in the negotiations with the Dean and the board of trustees. As a part of these funds, i purchased a MacPro and computational software (see below). This was an Intel-based Mac tower that had a "Quad Core" (two 2.66 GHz dual core) Intel Xeon 5150 processor (see specs below). In 2016, this server had a "fatal" hardware crash, no beeps, no nothing (the power supply was fine). I decided to purchase an identical computer from the used market (~$200), swapped hard drives, reconfigured the network and...back up and running. After this crash and as pchem and research students began to rely on this hardware, I decided to upgrade the hardware in 2017. The new computational server is an iMac Pro with an 8-Core, 3.2GHz Intel Xeon W processor. The old server is now the chemistry wiki, from which you are reading this document! By the way, i have a new Linux-based wiki server that is currently running the local Section ACS webpage and will be the new Chemistry wiki when i get around to it. |
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Revision as of 12:40, 9 April 2020
(4/9/20, bes)
Welcome to the first of a few lab periods that we will focus on computational chemistry. For all of this work we will be using the WebMO Pro 18.0 software that is linked in the left menu bar on this wiki.
About the Hardware
When I first came to Monmouth in 2007, I negotiated startup funds of $25K, thanks to Doc Kieft who encouraged me to make this request as well as assisted in the negotiations with the Dean and the board of trustees. As a part of these funds, i purchased a MacPro and computational software (see below). This was an Intel-based Mac tower that had a "Quad Core" (two 2.66 GHz dual core) Intel Xeon 5150 processor (see specs below). In 2016, this server had a "fatal" hardware crash, no beeps, no nothing (the power supply was fine). I decided to purchase an identical computer from the used market (~$200), swapped hard drives, reconfigured the network and...back up and running. After this crash and as pchem and research students began to rely on this hardware, I decided to upgrade the hardware in 2017. The new computational server is an iMac Pro with an 8-Core, 3.2GHz Intel Xeon W processor. The old server is now the chemistry wiki, from which you are reading this document! By the way, i have a new Linux-based wiki server that is currently running the local Section ACS webpage and will be the new Chemistry wiki when i get around to it.
| Server | Processor | Cost | RAM | Hard drive |
| 4-core (2 dual core), 2.66 GHz Intel Xeon 5150 with 8 MB cache | $2K | 8 GB | 250 GB + others | |
| 8-Core, 3.2GHz Intel Xeon W with 19 MB cache | $5K | 32 GB | 1 TB SS |
