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</o:shapelayout></xml><![endif]--></head><body lang=EN-GB link="#0563C1" vlink="#954F72" style='word-wrap:break-word'><div class=WordSection1><p class=MsoNormal>Dear QE users,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I am currently experiencing problems with QE 7.1 on my company’s cluster.<o:p></o:p></p><p class=MsoNormal>I am sending a relax calculation of a LiIn surface through a slurm workload manager only to find that the job stops without sending any error message right before the first scf cycle is started.<o:p></o:p></p><p class=MsoNormal> I’ve tried the same calculation on a colleague’s cluster and it seems to work fine, however I tried the input on mine with different k-point sampling (including gamma), with different parallelization options and while monitoring the used RAM (never uses more than 20% of available) but to no avail: the job always stops with no error message, and the following “tail” for the output file:<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> Estimated max dynamical RAM per process > 215.58 MB<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> Estimated total dynamical RAM > 10.11 GB<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> Initial potential from superposition of free atoms<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> starting charge 511.7335, renormalised to 512.0000<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> negative rho (up, down): 8.621E-03 0.000E+00<o:p></o:p></p><p class=MsoNormal> Starting wfcs are 448 randomized atomic wfcs <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I attach the input and output files to this email for clarity. Do you have an idea as to what can cause this issue and how I can resolve it?<o:p></o:p></p><p class=MsoNormal>Any help is greatly appreciated.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Best regards,<o:p></o:p></p><p class=MsoNormal>Fabrizio Silveri<o:p></o:p></p></div></body></html>