<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 donĂ </span></div></span></div></div></body></html>