<div dir="ltr"><div><div><div>Hello Lorenzo,<br></div>the issue about GIPAW comes fro
ma mismatch of internal indexes, it is actually fixed in the development
version. The XSpectra one is a bit more tricky, it appears to only come
on ifort 13 with vectorization turned on (which is the default), or
maybe a mix of explicit and implicit array size. A quick workaround (try
it please, and let me know if it also works for you) is to change line
19 of radin_mod.f90 from<br></div> Real(dp), Intent(in) :: y(:),x(:)<br>to<br> Real(dp), Intent(in) :: y(n),x(n)<br><br></div>thank you for reporting!</div><div class="gmail_extra"><br><div class="gmail_quote">On 24 May 2016 at 18:48, Lorenzo Donà <span dir="ltr"><<a href="mailto:lorechimica91@hotmail.it" target="_blank">lorechimica91@hotmail.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word">Dear all I have configured QE 5.4 on ubuntu 12.04 in this way :<div><div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo"><span>./configure MPIF90=mpiifort FC=ifort F77=ifort CC=icc CXX=icpc -with-internal-blas -with-intenal-lapack</span></div></div><div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo"><br></div><div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo">and I have run PW and Phonon examples without problem but when I run XSpectra examples i found 3 segmentation fault of this type for diamond SiO2 NiO but not segmentation fault occurred for Cu_L23:</div><div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo"> </div><div style="margin:0px;font-size:11px;line-height:normal;font-family:Menlo"><div style="margin:0px;line-height:normal"><span>Image PC Routine Line Source </span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 0000000000AB9319 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 0000000000AB7BEE Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 0000000000A60252 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 00000000009F47D3 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 00000000009FB9AB Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>libpthread.so.0 00007F336DC6F340 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 0000000000437000 xanes_dipole_ 143 xanes_dipole.f90</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 0000000000405E3E MAIN__ 308 xspectra.f90</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 0000000000403BA6 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>libc.so.6 00007F336D5B5EC5 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>xspectra.x 0000000000403A99 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>Error condition encountered during test: exit status = 174</span></div><div style="margin:0px;line-height:normal"><span>Aborting</span></div><div style="margin:0px;line-height:normal"><span><br></span></div><div style="margin:0px;line-height:normal"><span>also for GIPAW modules I found segmentation fault of this type for quartz H2O_environ H2O+ benzene-USPP but not for benzene-NCPP:</span></div><div style="margin:0px;line-height:normal"><span><br></span></div><div style="margin:0px;line-height:normal"><span><div style="margin:0px;line-height:normal"><span> Computing the magnetic susceptibility isolve=0 ethr= 0.1000E-13</span></div><div style="margin:0px;line-height:normal"><span> k-point # 1 of 1 pool # 1 cpu time: 7.3</span></div><div style="margin:0px;line-height:normal"><span>forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></div><div style="margin:0px;line-height:normal"><span>Image PC Routine Line Source </span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000B2ADF9 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000B296CE Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000AD1D92 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000A66313 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000A6D4EB Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>libpthread.so.0 00007F0187E4D340 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 00000000004D357E gen_us_dj_ 68 gen_us_dj.f90</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 000000000044C861 paramagnetic_corr 323 nmr_routines.f90</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 000000000042E8A6 suscept_crystal_I 470 suscept_crystal.f90</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 000000000042A757 suscept_crystal_ 218 suscept_crystal.f90</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000403FF3 MAIN__ 146 gipaw_main.f90</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000403BA6 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>libc.so.6 00007F0187793EC5 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span>gipaw.x 0000000000403A99 Unknown Unknown Unknown</span></div><div style="margin:0px;line-height:normal"><span><br></span></div><div style="margin:0px;line-height:normal"><span>I need to do EPR and NMR.</span></div><div style="margin:0px;line-height:normal"><span>Please can you help me to solve these problems.</span></div><div style="margin:0px;line-height:normal"><span><br></span></div><div style="margin:0px;line-height:normal"><span>Thanks a lot to help me.</span></div><span class="HOEnZb"><font color="#888888"><div style="margin:0px;line-height:normal"><span><br></span></div><div style="margin:0px;line-height:normal"><span>lorenzo donà</span></div></font></span></span></div></div></div><br>______________________________<wbr>_________________<br>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/<wbr>listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div>Dr. Lorenzo Paulatto </div><div>IdR @ IMPMC -- CNRS & Université Paris 6</div><div>phone: +33 (0)1 44275 084 / skype: paulatz</div><div>www: <a href="http://www-int.impmc.upmc.fr/~paulatto/" target="_blank">http://www-int.impmc.upmc.fr/~paulatto/</a></div><div>mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</div></div>
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