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<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Dear Paolo,</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Hi again.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">In non_dft+u calculation, I have no SEG. FAULT problem.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Is cp.x inconsistent with dft+u?</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;"> </div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Mahmoud</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;"> </div>
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<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Dear Paolo,</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Hi.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Thank you so much for your reply.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">1- I am using the cp.c included in QE-6.7. Yes, I am using DFT+U.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">2- The Intel compiler 2018 update 4 is used for building.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;"> </div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Thank you again.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Bests,</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Mahmoud</div>
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<div>Hi Mahmoud</div>
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<div>1. are you running CP (which version?) with DFT+U?</div>
<div>2. which compiler are you using? several old versions of the Intel compiler have problems with that part of the code</div>
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<div>Paolo</div>
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<div class="gmail_attr" dir="ltr">On Mon, Sep 20, 2021 at 10:47 AM Mahmoud Payami Shabestari <<a href="mailto:mpayami@aeoi.org.ir">mpayami@aeoi.org.ir</a>> wrote:</div>
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<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Dear QE users,</div>
<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">I am running cp.x for a given input file. The run is completed but when the program starts to write .save</div>
<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">files, I get the following SEG. FAULT:</div>
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<div> writing restart file (with schema): ./temp/sio2_50.save/<br />
forrtl: severe (174): SIGSEGV, segmentation fault occurred<br />
Image PC Routine Line Source <br />
cp.x 0000000000A89F5D Unknown Unknown Unknown<br />
libpthread-2.28.s 000014C60FE80E70 Unknown Unknown Unknown<br />
cp.x 000000000076B05A qexsd_init_mp_qex 456 qexsd_init.f90<br />
cp.x 00000000005A0F74 cp_restart_new_mp 296 cp_restart_new.f90<br />
cp.x 00000000004EA3E2 writefile_x_ 92 restart.f90<br />
cp.x 000000000043746B cprmain_ 960 cpr.f90<br />
cp.x 000000000041AE17 cpr_loop_ 44 cpr_loop.f90<br />
cp.x 0000000000407310 MAIN__ 77 cprstart.f90<br />
cp.x 000000000040721E Unknown Unknown Unknown<br />
<a href="http://libc-2.28.so" target="_blank">libc-2.28.so</a> 000014C60F763413 __libc_start_main Unknown Unknown<br />
cp.x 000000000040712E Unknown Unknown Unknown<br />
--------------------------------------------------------------------------<br />
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<div>It should be mentioned that:</div>
<div>1)- the "ulimit -s unlimited" recipe has already been applied.</div>
<div>2)- The Example-1 of cp.x for SiO2 has been run successfully without such an error.</div>
<div> </div>
<div>Any comments is highly appreciated.</div>
<div> </div>
<div>Best regards,</div>
<div>Mahmoud Payami</div>
<div>AEOI, Tehran, Iran</div>
<div> </div>
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<div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br />
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br />
Phone +39-0432-558216, fax +39-0432-558222<br />
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