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To get rid of the underflow flag output (which is essentially a debugging output) compile with -ffpe-summary=none<br>
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See <a href="https://gcc.gnu.org/onlinedocs/gfortran/Debugging-Options.html" id="LPlnk">
https://gcc.gnu.org/onlinedocs/gfortran/Debugging-Options.html</a><br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of tanghong992@outlook.com <tanghong992@gmail.com><br>
<b>Sent:</b> Tuesday, 24 August 2021 2:18 PM<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org>; p.giannozzi@gmail.com <p.giannozzi@gmail.com><br>
<b>Subject:</b> Re: [QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors</font>
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Dear Paolo,</p>
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Thank you for heping. </p>
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I found the problems. Gcc4.8 is not good for compiling QE 6.8. It will meet some errors.</p>
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1 . I used gcc 10.2 to re-compiled mpi/openmp </p>
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2. I use gcc 10.2 to compiled libxc, </p>
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3. I use gcc 10.2 and intel mkl libs to compile QE6.8 (with libxc)</p>
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Then QE6.8 looks good. </p>
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However, when I use SCAN via “ input_dft = “ wth SCAN pseudopotential, it will have “ Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG” in the end. But the calculations are correct.</p>
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However, if I use PBE or TPSS (with PBE pseudopotential or tpss pps), it is pretty good, has no such “Note”.
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Is there any way I can go around this issue? </p>
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Thank you very much.</p>
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Best,</p>
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Hong</p>
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