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