So this is some information. In spag.f NKP is originally set to 1000.
Thus you have more than 1000 k-points in case.klist_band for your spaghettis ? If this is true, increase NKP such that the doreallocate should not be called (and thus the error should not appear. Am 27.04.2012 08:15, schrieb Georg Eickerling: > Update from my side: > > I already did some debugging and the crash happens for me in spag.f > (line 128) when doing > > call doreallocate ( ngrp,4,NEVL,NKP) > > while reading-in the Kpoints from output1 and spaghetti enters these > allocation steps because of the condition > > n_kpt.gt.nkp > > regards > > Georg Eickerling > > > On 27.04.2012 07:39, Georg Eickerling wrote: >> OK, so I also tried recompiling with O0 and it did not change anything: >> >> $ make clean >> rm -f reallocate.o modules.o bndind.o bz_lin.o cartco.o clipin.o >> comprel.o con_ev.o defins.o drawt.o get_ei.o get_k.o inview.o movet.o >> pgrpnr.o pointi.o psend.o psinit.o spag.o seppt.o transt.o writln.o >> writs.o writz.o wrtdate.o reallocate.P modules.P bndind.P bz_lin.P >> cartco.P clipin.P comprel.P con_ev.P defins.P drawt.P get_ei.P get_k.P >> inview.P movet.P pgrpnr.P pointi.P psend.P psinit.P spag.P seppt.P >> transt.P writln.P writs.P writz.P wrtdate.P modules.prj bndind.prj >> bz_lin.prj cartco.prj clipin.prj comprel.prj con_ev.prj defins.prj >> drawt.prj get_ei.prj get_k.prj inview.prj movet.prj pgrpnr.prj >> pointi.prj psend.prj psinit.prj spag.prj seppt.prj transt.prj writln.prj >> writs.prj writz.prj wrtdate.prj reallocate.prj \ >> spaghetti.xref *.mod >> >> >> >> make >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c reallocate.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c modules.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c bndind.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c bz_lin.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c cartco.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c clipin.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c comprel.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c con_ev.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c defins.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c drawt.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c get_ei.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c get_k.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c inview.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c movet.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c pgrpnr.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c pointi.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c psend.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c psinit.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c spag.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c seppt.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c transt.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c writln.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c writs.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c writz.f >> ifort -O0 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML >> -traceback -c wrtdate.f >> ifort -o ./spaghetti reallocate.o modules.o bndind.o bz_lin.o cartco.o >> clipin.o comprel.o con_ev.o defins.o drawt.o get_ei.o get_k.o inview.o >> movet.o pgrpnr.o pointi.o psend.o psinit.o spag.o seppt.o transt.o >> writln.o writs.o writz.o wrtdate.o -O0 -FR -mp1 -w -prec_div -pc80 -pad >> -align -DINTEL_VML -traceback >> -L/opt/intel/Compiler/11.0/083/mkl/lib/emt64 -pthread -i-static >> >> >> using this binary still results in: >> >> x spaghetti >> Segmentation fault >> 0.068u 0.020s 0:00.08 100.0% 0+0k 0+8io 0pf+0w >> error: command /usr/users/eickerling/prog/wien2k11/spaghetti >> spaghetti.def failed >> >> >> regards >> >> Georg Eickerling >> >> >> On 26.04.2012 17:04, Aaron Sutton wrote: >>> Hi, >>> Posted about this a few days ago but got no response. I'm having an >>> issue running spaghetti. When executing x spaghetti from w2web, I >>> immediately receive the following: >>> >>> Commandline: x spaghetti >>> Program input is: "" >>> >>> Segmentation fault >>> 0.072u 0.035s 0:00.43 23.2% 0+0k 0+4io 84pf+0w >>> error: command /Applications/WIEN2K/spaghetti spaghetti.def failed >>> >>> No errors are given when running lawp1 -band from w2web or the command >>> line. The k-mesh was created using XCrysDen. Any input into this issue >>> would be greatly appreciated as I've made no progress on it in days. >>> >>> Thanks. >>> ---------------------------------------------------------------------------- >>> Aaron Sutton >>> Ph.D. Candidate | University of Toronto >>> Office: McLennan MP090 | Phone: +1 416 946 3639 >>> Email: asutton at physics.utoronto.ca >>> _______________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------