Case No.PC 9979We received inquiries about a machine for Gaussian from a customer viewing this. We plan to calculate with Gaussian and display with GaussView, and the budget is about 50 yen.
The example of PC-9979 does not perform large calculations and is intended for limited use, but we received a question about how much calculation can be performed when Gaussian is used with the configuration proposed this time. I'm here.
The configuration of the case No. PC-9979 you saw is out of stock, and we cannot provide the same configuration, so we have proposed an alternative configuration in the same price range. The CPU uses AMD Ryzen 16 core products so that you can install a large number of cores within your budget. Other than the CPU, I set the specs to the same level as the PC-9979.
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[How much calculation can be done with Gaussian] In Gaussian 16, when performing calculations with the number of atoms set to 50 or more, it is recommended to install 1 GB or more of memory per core. ■Gaussian 16 Rev. C.01/C.02 Release Notes *Opens manufacturer page Paradoxically, if a memory capacity of 1 GB is secured for each core, it is considered that one core can sufficiently calculate the number of atoms of about 4.Although it is only a theoretical guess, the configuration of this example has 1 cores and 50 GB of memory capacity is secured for each core, so it is possible to perform simple calculations on a scale of 16 atoms x number of cores. It is possible. |
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【Main Specifications】
| CPU | Ryzen9 5950X (3.40GHz 16 cores) |
| memory | 128GB |
| Storage 1 | 1TB SSD S-ATA |
| video | Nvidia T400 |
| network | on board (10/100 / 1000Base-T x1) |
| Housing + power supply | Middle tower case + 850W |
| OS | Microsoft Windows 10 Professional 64bit |
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