[Wien] How to check K-points parallel installation

贾亚磊 jia_yalei at 163.com
Thu Aug 1 03:31:54 CEST 2013


Dear Sajjad,

Though I have not  tested the  parallel  installation successfully, in my opinion, the answer is in http://www.wien2k.at/reg_user/faq/pbs.html. Change the example shell script there(or in WIENROO/qsub-job1-*_lapw) according to you queuing system.
The submit procedure is:
1. Do  the init_lapw in your working directory [ or through w2web if you do not have *.struct].
2. Copy your changed shell script to your working directory.
3. Submit you shell script to your queuing system.

Best wishes
Jia Yalei

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