<html><head><meta http-equiv="Content-Type" content="text/html charset=iso-8859-1"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">very probably is either an issue of your compiler or an issue of your libraries.<div>I have double checked right now and I do not see any major issue.</div><div><br></div><div>Can you be more specific and tell us:</div><div>-) How many mpi tasks you need to reproduce the error?</div><div>-) How many omp threads?</div><div>-) compiler version</div><div>-) libraries version (scalapack, etc..)</div><div><br><div><div>On 16 Dec 2013, at 19:53, isaac sugden <<a href="mailto:isaac...@gmail.com">isaac...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr">Hi everyone.<div>Having had some trouble getting a cell opt job of my own to run, I have discovered a bug in the test jobs. using cell-1.inp from the regtest/QS/ directory, it completes on one core, but produces a messy error that I cant untangle easily. the files are attached. Is this a known problem? (CP2K version 2.3.43 (Development Version)). if there is a workaround perhaps I can use it on my own job, as 1 core is a little difficult to use in this case.</div><div>many thanks in advance</div><div>Isaac</div></div><div><br class="webkit-block-placeholder"></div>
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