<div dir="ltr"><div>Dear wien2k developer<br><br></div>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.<br>
<br><br><br>ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c ykav.f<br>ykav.f(26): (col. 10) remark: LOOP WAS VECTORIZED.<br>ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c ylm.f<br>
cc -c W2kutils.c<br>ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c W2kinit.F<br>ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c vx_screened.f<br>ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c lyp.f<br>
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c vwn5.f<br>vwn5.f(15): (col. 7) remark: BLOCK WAS VECTORIZED.<br>vwn5.f(19): (col. 7) remark: BLOCK WAS VECTORIZED.<br>vwn5.f(23): (col. 7) remark: BLOCK WAS VECTORIZED.<br>
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<br>
W2kinit.o: In function `w2kinit_':<br>W2kinit.F:(.text+0x133): undefined reference to `vmlsetmode_'<br>make[1]: *** [lapw0] Error 1<br>make[1]: Leaving directory `/home/naushad/attem_install/SRC_lapw0'<br>make: *** [seq] Error 2<br>
make: *** No rule to make target `complex'. Stop.<br>if [ -f .sequential ]; then \<br> 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; \<br>
fi<br>touch .parallel<br>make PARALLEL='-DParallel' lapw0_mpi \<br> FORT=mpif90 FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -DFFTW3 '-DParallel''<br>make[1]: Entering directory `/home/naushad/attem_install/SRC_lapw0'<br>
mpif90 -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -DFFTW3 -DParallel -c modules.F<br>gfortran: error: unrecognized option ‘-prec_div’<br>gfortran: error: unrecognized option ‘-pc80’<br>gfortran: error: unrecognized option ‘-pad’<br>
gfortran: error: unrecognized option ‘-align’<br>gfortran: error: unrecognized option ‘-traceback’<br>make[1]: *** [modules.o] Error 1<br>make[1]: Leaving directory `/home/naushad/attem_install/SRC_lapw0'<br>make: *** [para] Error 2<br>
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