<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 all I have configured QE 5.4 on ubuntu 12.04 in this way :<div class=""><div class="" style="margin: 0px; font-size: 11px; line-height: normal; font-family: Menlo;"><span class="" style="font-variant-ligatures: no-common-ligatures;">./configure MPIF90=mpiifort FC=ifort F77=ifort CC=icc CXX=icpc -with-internal-blas -with-intenal-lapack</span></div></div><div class="" style="margin: 0px; font-size: 11px; line-height: normal; font-family: Menlo;"><br class=""></div><div class="" 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 class="" style="margin: 0px; font-size: 11px; line-height: normal; font-family: Menlo;"> </div><div class="" style="margin: 0px; font-size: 11px; line-height: normal; font-family: Menlo;"><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">Image PC Routine Line Source </span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 0000000000AB9319 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 0000000000AB7BEE Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 0000000000A60252 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 00000000009F47D3 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 00000000009FB9AB Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">libpthread.so.0 00007F336DC6F340 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 0000000000437000 xanes_dipole_ 143 xanes_dipole.f90</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 0000000000405E3E MAIN__ 308 xspectra.f90</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 0000000000403BA6 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">libc.so.6 00007F336D5B5EC5 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">xspectra.x 0000000000403A99 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">Error condition encountered during test: exit status = 174</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">Aborting</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"><br class=""></span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">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 class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"><br class=""></span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"> Computing the magnetic susceptibility isolve=0 ethr= 0.1000E-13</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"> k-point # 1 of 1 pool # 1 cpu time: 7.3</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">Image PC Routine Line Source </span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000B2ADF9 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000B296CE Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000AD1D92 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000A66313 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000A6D4EB Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">libpthread.so.0 00007F0187E4D340 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 00000000004D357E gen_us_dj_ 68 gen_us_dj.f90</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 000000000044C861 paramagnetic_corr 323 nmr_routines.f90</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 000000000042E8A6 suscept_crystal_I 470 suscept_crystal.f90</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 000000000042A757 suscept_crystal_ 218 suscept_crystal.f90</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000403FF3 MAIN__ 146 gipaw_main.f90</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000403BA6 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">libc.so.6 00007F0187793EC5 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">gipaw.x 0000000000403A99 Unknown Unknown Unknown</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"><br class=""></span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">I need to do EPR and NMR.</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">Please can you help me to solve these problems.</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"><br class=""></span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">Thanks a lot to help me.</span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;"><br class=""></span></div><div class="" style="margin: 0px; line-height: normal;"><span class="" style="font-variant-ligatures: no-common-ligatures;">lorenzo donà</span></div></span></div></div></body></html>