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Hello!<br><br>I am trying to make relax computation of some cluster using PWSCF 6.1 (svn rev. 13369) on JSCC RAS supercomputer.<br>I start relax with max_seconds determined, then it stops after reaching defined time value, so I edit .in file and set restart_mode='restart' instead of 'from_scratch" and start the computation again.<br>I am getting the following error message:<br>====<br>from rdiaghg : error # 114<br>problems computing cholesky<br>====<br>If I simply extract last geometry from .out, clear tempdir and start new computation with restart_mode='from_scratch', it works fine.<br>Though with previous tasks I already used such restarts and all was OK.<br><br>What am I doing wrong?<br><br><br><p>------------------------<br>Best regards,<br>Denis E. Zavelev<br>Researcher, PhD Chem.<br>Laboratory of catalytic nanotechnologies<br>TIPS RAS</p><br><style></style></div></div>
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