<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Matteo,<div class=""><br class=""></div><div class="">I've discovered today that all three examples provided with XSpectra crash when Intel compiler 14.x is used. All three examples generates the same error using Intel at the line 1262 of the file xspectra.f90. Here the backtrace:</div><div class=""><br class=""></div><div class=""><font face="Courier New" class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred<br class="">Image PC Routine Line Source<br class="">xspectra.x 00000000009B0069 Unknown Unknown Unknown<br class="">xspectra.x 00000000009AE93E Unknown Unknown Unknown<br class="">xspectra.x 0000000000956672 Unknown Unknown Unknown<br class="">xspectra.x 00000000008E9E23 Unknown Unknown Unknown<br class="">xspectra.x 00000000008EFF1B Unknown Unknown Unknown<br class="">libpthread.so.0 00007F2443967710 Unknown Unknown Unknown<br class="">xspectra.x 000000000041F07A xanes_dipole_..0 1262 xspectra.f90<br class="">xspectra.x 0000000000409A6E MAIN__ 937 xspectra.f90<br class="">xspectra.x 0000000000405D96 Unknown Unknown Unknown<br class="">libc.so.6 00007F244335ED5D Unknown Unknown Unknown<br class="">xspectra.x 0000000000405C89 Unknown Unknown Unknown</font></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><font face="Courier New" class=""> DO ip=1,paw_recon(xiabs)%paw_nbeta<br class=""> ! IF(psphi(xiabs,ip)%label%l.EQ.xang_mom) THEN<br class=""> IF(paw_recon(xiabs)%aephi(ip)%label%l.EQ.xang_mom) THEN<br class=""> nrc=paw_recon(xiabs)%aephi(ip)%label%nrc<br class=""> ip_l=ip_l+1<br class=""> ! here below, recall that psi is r*psi and you have a Jacobian=r^2<br class=""><b class=""> aux(1:nrc) = rgrid(xiabs)%r(1:nrc) * &<br class=""> paw_recon(xiabs)%aephi(ip)%psi(1:nrc) * &<br class=""> core_wfn(1:nrc)</b><br class=""> ! here we have to integrate only inside the augmentation region.<br class=""> xanes_dip(ip_l)=para_radin(aux(1:nrc),rgrid(xiabs)%r(1:nrc),nrc)<br class=""> ENDIF<br class=""> ENDDO</font></div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">If XSpectra is compiled with GCC all three examples run without any problem. I will mark down this open issue, doing more tests with different compilers and hopefully I will be able to address by Friday. The last commit on the file is yours, here the reason while I am reaching you out first. If you have any suggestion to resolve this problem please feel free to commit a fix up to the last moment!</div><div class=""><br class=""></div><div class="">Thank you very much in advance!</div><div class=""><br class=""></div><div class="">Cheers,</div><div class="">Filippo</div><div class=""><br class=""><div apple-content-edited="true" class="">--<br class="">Mr. Filippo SPIGA, M.Sc.<br class="">Quantum ESPRESSO Foundation<br class=""><a href="http://fspiga.github.io" class="">http://fspiga.github.io</a> ~ skype: filippo.spiga<br class=""><br class="">«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert<br class=""><br class="">*****<br class="">Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission."</div><br class=""></div></body></html>