[Wien] compilation erroe during installation
wasim raja Mondal
wasimr.mondal at gmail.com
Wed Apr 17 08:19:16 CEST 2013
Dear wien2k developer
I am installing wien2k in ubuntu 11.0 operating system. I chose ifort and
cc compiler. I have given also installed mpich-3.0.3 and fftw 2.1.5 in the
system. I have compiled all the program and check the error message in
compile.msg for each program. I have found error in 12 SRC_* programe and
other programe are successfully installed. For example I giving one error
file given below in the SRC_lapwo programme... please help me.
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c
ykav.f
ykav.f(26): (col. 10) remark: LOOP WAS VECTORIZED.
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c
ylm.f
cc -c W2kutils.c
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c
W2kinit.F
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c
vx_screened.f
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c
lyp.f
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c
vwn5.f
vwn5.f(15): (col. 7) remark: BLOCK WAS VECTORIZED.
vwn5.f(19): (col. 7) remark: BLOCK WAS VECTORIZED.
vwn5.f(23): (col. 7) remark: BLOCK WAS VECTORIZED.
ifort -o lapw0 cputim.o modules.o fftpack_helpers.o fft_modules.o
reallocate.o ainv.o am05_xscss.o b88.o blyp.o brj.o charg2.o charg3.o
charge.o chfac.o chslv.o corgga.o corpbe_revtpss.o corpbe_tpss.o
cub_xc_back.o corlsd.o dfxhpbe.o dfxrevtpss.o dfxtpss.o drho.o dylm.o efg.o
energy.o epot1.o eramps.o errclr.o errflg.o ev92.o ev92ex.o exch.o exch17.o
fithi.o fxhpbe.o fx_revtpss.o fx_tpss.o gbass.o gcor.o gea.o geaex.o
getff1.o getfft.o gpoint.o gpointm.o grans.o gtfnam.o hcth.o htbs.o
ifflim.o kcis.o lapw0.o latgen.o multfc.o multsu.o outerr.o pbea.o pbem.o
pbe1.o pbe2.o pbesol.o poissn.o potfac.o pwxad4.o pwxad5.o qranf.o
readstruct.o rean0.o rean1.o rean3.o rean4.o rhopw.o rotate.o rotdef.o
rpbe.o setff0.o setff1.o setfft.o setff2.o seval.o sevald.o sevaldd.o
sevali.o sevalin.o sicpbe.o sicpbe_revtpss.o sicpbe_tpss.o sogga.o sphbes.o
spline.o srolyl.o stern.o sumfac.o suml.o SymmRot.o th1.o th2.o vpw91.o
vresp.o vs98.o vxc15.o vxc16.o vxc17.o vxc24.o vxc26.o vxclm2.o vxcpw2.o
vxi35.o vxi35a.o wc05.o workf1.o xcener.o xcpot.o xcpot1.o xcpot3.o ykav.o
ylm.o W2kutils.o W2kinit.o vx_screened.o lyp.o vwn5.o -FR -mp1 -w
-prec_div -pc80 -pad -align -DINTEL_VML -traceback
-L/opt/intel/11.0/074/mkl/lib/em64t -pthread -i-static -lmkl_lapack -lmkl
-lguide
W2kinit.o: In function `w2kinit_':
W2kinit.F:(.text+0x133): undefined reference to `vmlsetmode_'
make[1]: *** [lapw0] Error 1
make[1]: Leaving directory `/home/naushad/attem_install/SRC_lapw0'
make: *** [seq] Error 2
make: *** No rule to make target `complex'. Stop.
if [ -f .sequential ]; then \
rm -f .sequential modules.o fft_modules.o reallocate.o energy.o
getff1.o getfft.o gtfnam.o lapw0.o rean0.o rean3.o rean4.o setff1.o
setff2.o setfft.o xcpot1.o xcpot3.o eramps.o W2kinit.o *.mod; \
fi
touch .parallel
make PARALLEL='-DParallel' lapw0_mpi \
FORT=mpif90 FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -align
-DINTEL_VML -traceback -DFFTW3 '-DParallel''
make[1]: Entering directory `/home/naushad/attem_install/SRC_lapw0'
mpif90 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
-DFFTW3 -DParallel -c modules.F
gfortran: error: unrecognized option ‘-prec_div’
gfortran: error: unrecognized option ‘-pc80’
gfortran: error: unrecognized option ‘-pad’
gfortran: error: unrecognized option ‘-align’
gfortran: error: unrecognized option ‘-traceback’
make[1]: *** [modules.o] Error 1
make[1]: Leaving directory `/home/naushad/attem_install/SRC_lapw0'
make: *** [para] Error 2
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