Hi Lorenzo I tried on Ubuntu 14.04 LTS with ifort 14.02 and 16.01 and 16.02 and the problem it is the same. 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.... Now I will try what you told me and I will wait the new version of QE Thanks a lot Lorenzo
Il giorno 19 set 2016, alle ore 14:36, Lorenzo Paulatto <[email protected]<mailto:[email protected]>> ha scritto: Hello Lorenzo, 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 Real(dp), Intent(in) :: y(:),x(:) to Real(dp), Intent(in) :: y(n),x(n) thank you for reporting! On 24 May 2016 at 18:48, Lorenzo Don? <[email protected]<mailto:[email protected]>> wrote: Dear all I have configured QE 5.4 on ubuntu 12.04 in this way : ./configure MPIF90=mpiifort FC=ifort F77=ifort CC=icc CXX=icpc -with-internal-blas -with-intenal-lapack 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: Image PC Routine Line Source xspectra.x 0000000000AB9319 Unknown Unknown Unknown xspectra.x 0000000000AB7BEE Unknown Unknown Unknown xspectra.x 0000000000A60252 Unknown Unknown Unknown xspectra.x 00000000009F47D3 Unknown Unknown Unknown xspectra.x 00000000009FB9AB Unknown Unknown Unknown libpthread.so.0 00007F336DC6F340 Unknown Unknown Unknown xspectra.x 0000000000437000 xanes_dipole_ 143 xanes_dipole.f90 xspectra.x 0000000000405E3E MAIN__ 308 xspectra.f90 xspectra.x 0000000000403BA6 Unknown Unknown Unknown libc.so.6 00007F336D5B5EC5 Unknown Unknown Unknown xspectra.x 0000000000403A99 Unknown Unknown Unknown Error condition encountered during test: exit status = 174 Aborting also for GIPAW modules I found segmentation fault of this type for quartz H2O_environ H2O+ benzene-USPP but not for benzene-NCPP: Computing the magnetic susceptibility isolve=0 ethr= 0.1000E-13 k-point # 1 of 1 pool # 1 cpu time: 7.3 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source gipaw.x 0000000000B2ADF9 Unknown Unknown Unknown gipaw.x 0000000000B296CE Unknown Unknown Unknown gipaw.x 0000000000AD1D92 Unknown Unknown Unknown gipaw.x 0000000000A66313 Unknown Unknown Unknown gipaw.x 0000000000A6D4EB Unknown Unknown Unknown libpthread.so.0 00007F0187E4D340 Unknown Unknown Unknown gipaw.x 00000000004D357E gen_us_dj_ 68 gen_us_dj.f90 gipaw.x 000000000044C861 paramagnetic_corr 323 nmr_routines.f90 gipaw.x 000000000042E8A6 suscept_crystal_I 470 suscept_crystal.f90 gipaw.x 000000000042A757 suscept_crystal_ 218 suscept_crystal.f90 gipaw.x 0000000000403FF3 MAIN__ 146 gipaw_main.f90 gipaw.x 0000000000403BA6 Unknown Unknown Unknown libc.so.6 00007F0187793EC5 Unknown Unknown Unknown gipaw.x 0000000000403A99 Unknown Unknown Unknown I need to do EPR and NMR. Please can you help me to solve these problems. Thanks a lot to help me. lorenzo don? _______________________________________________ Pw_forum mailing list [email protected]<mailto:[email protected]> http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 _______________________________________________ Pw_forum mailing list [email protected]<mailto:[email protected]> http://pwscf.org/mailman/listinfo/pw_forum
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