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<div>Hi Lorenzo </div>
<div id="AppleMailSignature">I tried on Ubuntu 14.04 LTS with ifort 14.02 and 16.01 and 16.02 and the problem it is the same.</div>
<div id="AppleMailSignature">On my personal Mac I compiled the serial version of QE 5.4 with Intel compiler 16.02 and I found no problem in XSpectra and GIPAW....</div>
<div id="AppleMailSignature">Now I will try what you told me and I will wait the new version of QE</div>
<div id="AppleMailSignature">Thanks a lot </div>
<div id="AppleMailSignature">Lorenzo <br>
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Il giorno 19 set 2016, alle ore 14:36, Lorenzo Paulatto <<a href="mailto:lorenzo.paulatto@impmc.upmc.fr">lorenzo.paulatto@impmc.upmc.fr</a>> ha scritto:<br>
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<div>Hello Lorenzo,<br>
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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>
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    Real(dp), Intent(in) :: y(:),x(:)<br>
to<br>
    Real(dp), Intent(in) :: y(n),x(n)<br>
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thank you for reporting!</div>
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<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>
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<div style="word-wrap:break-word">Dear all I have configured QE 5.4 on ubuntu 12.04 in this way :
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<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>
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<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>
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</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>
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</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">
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</span></div>
<div style="margin:0px;line-height:normal"><span>lorenzo donà</span></div>
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-- <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>
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