[Wien] Seg Fault during Bandstructure Calculation

[Georg Eickerling]

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
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