USPEX under Windows-PC

JosePerez

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Apr 11, 2011, 12:34:39 PM4/11/11

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Dear USPEX users,
I am trying to become familiar with USPEX code. Is there any version
that runs on Windows-PC?
Thanks,
Jose

Nicheal

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Apr 11, 2011, 9:30:13 PM4/11/11

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Hi, Jose

There is no Win-version USPEX. the generated structures by USPEX should be locally optimized by an external code, such as VASP SIESTA. These ab-initio codes work at linux/unix environment. The USPEX of latest version is your best choice. You can run the USPEX jobs on a linux server, then read and visualise out put files on a windows-PC. Luckly, STM4 is distributed on Windows-OS

Enjoy it!

Lichun XU

发件人： JosePerez

发送时间： 2011-04-12 00:34:42

收件人： USPEX

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主题： USPEX under Windows-PC

Ziyun Wang

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Dec 20, 2013, 6:45:10 AM12/20/13

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Hi Lichun

I'm quite interested in this issue. Because there is a big windows cluster in our university. I managed to compile VASP under windows and the efficiency is reasonable. I think windows could provides all the required environment so far (matlab, perl). Now, I'm trying to change the uspex code to fit windows system. Do you have any suggestions?

Regards,

Ziyun

On Tuesday, April 12, 2011 2:30:13 AM UTC+1, Lichun XU wrote:

Li-Chun XU

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Dec 20, 2013, 9:22:06 AM12/20/13

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Hi Ziyun,

I think you have made great progress in running USPEX on Win OS. Actually, it is burdensome to change the unix commands in USPEX code. You can try to configure a Linux-like environment for Windows, Cygwin is a good choose! It may lighten your load. The second choice is running USPEX on a local Linux machine, and design a special remote submission mechanism between your windows cluster and local Linux machine.

Hope it can help!

Regards,

Lichun

2013/12/20 Ziyun Wang <ziyun...@gmail.com>

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Ziyun Wang

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Dec 20, 2013, 10:05:29 AM12/20/13

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Hi Lichun,

Thanks for your reply. Cygwin is indeed a good choice. Actually, I used Cygwin to compile vasp on windows. I'm not sure whether cygwin could also work under windows cluster. Furthermore, the queue system of windows cluster is Microsoft HPC and MS-MPI, therefore, remote submission is not easy to implement. I'll try to deal with this problem. Thanks again for your help.