hi, Paolo, Thank you very much for your help. I deleted *.o and *.x under /GIPAW and /Xspectra and then ran make gipaw and make xspectra in the QE root directory, as you suggested. No error found in compilation. Well, when I ran xspectra.x<diamond.xspectra_fermi.in>diamond.xspectra_fermi.out again, I saw the same error as before. diamond.xspectra_fermi.in is from the example file. What should I do next? My intel fortran is V 12.0.3. Many thanks again! best regards Yu Zhang
On 2011?04?07? 10:53, Paolo Giannozzi wrote: > On Apr 7, 2011, at 18:56 , Yu Zhang wrote: > >> (why hasn't it been compiled with all the other QE modules?) > $ make > to install, type at the shell prompt: > ./configure > make target > where target is one of the following: > pw basic code for scf, structure optimization, MD > cp CP code: CP MD with ultrasoft pseudopotentials > ph phonon code > neb code for Nudged Elastic Band method > tddfpt time dependent dft code > pp postprocessing programs > gamma Gamma-only version of phonon code > pwcond ballistic conductance > d3 third-order derivatives > vdw vdW calculation > gipaw magnetic response (NMR, EPR, ...) > w90 Maximally localised Wannier Functions > want Quantum Transport with Wannier functions > plumed Patch for calculating free-energy paths with pw or cp > gww GW with Wannier Functions > yambo electronic excitations with plane waves > tools misc tools for data analysis > ld1 utilities for pseudopotential generation > upf utilities for pseudopotential conversion > xspectra X-ray core-hole spectroscopy calculations > pwall same as "make pw ph pp gamma pwcond d3 tools" > all same as "make pwall cp ld1 upf tddfpt" > .... > > As you can see, some specialized code are not compiled > by "make all" > >> So I came to the XSpetra directory and ran make > "make xspectra" should be run from the root QE directory > >> xspectra.f90(431): remark #8290: Recommended relationship between >> field >> width 'W' and the number of fractional digits 'D' in this edit >> descriptor is 'W>=D+3'. > this is completely irrelevant > >> forrtl: severe (174): SIGSEGV, segmentation fault occurred > does it work for the provided example? > >> I'm using ifort V.12 with MKL and under a Linux64 system. > v.12.0.2 should work; v.12.0.0 doesn't > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
