From: Kodituwakku,Dimuthu Nirmani (dkodituwakku_at_ufl.edu)
Date: Fri Oct 02 2020 - 09:53:02 CDT
Hi all,
I'm running on GPUs through SLURM scripts. Once my submission timeout and stops in the middle I restart my calculations using my restart files. But in some cases, it fails to write the velocity restart files and I restart using restart.velocity.old file . I see a significant drop of my starting temperature from 300 K to 250 K. Is there a reason for that?
I have attached my .conf and restart files here.
[https://outlook-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png]prod161.restart.coor<https://uflorida-my.sharepoint.com/:u:/g/personal/dkodituwakku_ufl_edu/EQS_pCDBIDdGrYczbbS5y1UBQL0H9JOYT5QHEEaPAqv89w?e=xujDQt>
[https://outlook-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png]prod161.restart.vel.old<https://uflorida-my.sharepoint.com/:u:/g/personal/dkodituwakku_ufl_edu/EfHepQ30G6lHukfyxziAKZMB1c03bPUxsT1oRnXJb5RFgA?e=oPEQfg>
[https://outlook-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png]prod161.restart.xsc<https://uflorida-my.sharepoint.com/:u:/g/personal/dkodituwakku_ufl_edu/EY0uzMcYnXpJsKFmp2YP8ZEB2oWJKSbCkVslveSjNPLxfg?e=7bOXe8>
[https://outlook-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png]ubq_wb_eq.conf<https://uflorida-my.sharepoint.com/:u:/g/personal/dkodituwakku_ufl_edu/EREnCU_4SH5CiEodWlHIhHoBKmqQwAsQIjfxrTsyXDaETQ?e=yJmXzk>
Thank you,
Best,
Dimuthu
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