<div dir="ltr">Dear Thomas,<div><br></div><div>Thank you very much for your help. I would add the GLOBAL/WALLTIME in the head of input file.</div><div>And~ may I know what is the exactly information about the "a half a minute before the hard timeout of your scheduler". I could not fullly understand.</div><div><br></div><div>Thank you</div><div><br></div><div>Best Regards</div><div><br></div><div>Liyi Bai </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Thomas Kühne <<a href="mailto:tku...@gmail.com">tku...@gmail.com</a>> 于2020年1月6日周一 下午6:49写道：<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;">Dear Liyi, <div><br></div><div>you can use GLOBAL/WALLTIME to terminate your job safely </div><div>a half a minute before the hard timeout of your scheduler. </div><div><br></div><div>Cheers, </div><div>Thomas</div><div><br><div><blockquote type="cite"><div>Am 06.01.2020 um 04:45 schrieb lizzy bai <<a href="mailto:baili...@gmail.com" target="_blank">baili...@gmail.com</a>>:</div><br><div><div dir="ltr">Dear CP2K Users<div><br></div><div><br></div><div>I am modeling the system of water-air by running the AIMD.</div><div>After running around 1500 timesteps, the job automaticlly terminated without any error signal.</div><div>Then I restart the job, the restarted job automatically terminated again after running around 1500timesteps.</div><div>Now I have restarded 3 times and tried the version of CP2K 5.1 and 6.1. it still face this type of problem.</div><div>Here I attached the input file, .ener file and output file.</div><div><br></div><div>Does anyone can give me any suggestion about this situation?</div><div><br></div><div>Thank you very much.</div><div><span id="gmail-m_-7264525469406330907cid:1a1a33eb-0789-46e6-8d87-949abd3f2dd1"><WeChat Image_20200106123720.png></span></div><div><a style="text-align:center;margin-left:1em;margin-right:1em"><span id="gmail-m_-7264525469406330907cid:859e307b-b1f2-41ea-a428-fca9a004055d"><WeChat Image_20200106123725.png></span></a></div><div style="text-align:right"><br></div><div><br></div><div><br></div><div>Best Wishes</div><div><br></div><div>Liyi</div></div><div><br></div>
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<span id="gmail-m_-7264525469406330907cid:a8b74e40-8685-44a8-b6e2-122e845afb4b"><new_waterair.inp></span><span id="gmail-m_-7264525469406330907cid:244074c6-7a5a-4ff9-94cb-5cf6d2726891"><WATER-1.ener></span><span id="gmail-m_-7264525469406330907cid:b4041d57-dfda-48e6-961b-002580b3e6be"><aimd-md.o13606></span><span id="gmail-m_-7264525469406330907cid:1a1a33eb-0789-46e6-8d87-949abd3f2dd1"><WeChat Image_20200106123720.png></span><span id="gmail-m_-7264525469406330907cid:859e307b-b1f2-41ea-a428-fca9a004055d"><WeChat Image_20200106123725.png></span></div></blockquote></div><br></div><br><br><div>
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