[Wien] error during compilation (siteconfig_lapw)

[Gerhard Fecher]

why do you try to mix libraries from completely different compiler/mkl versions
instead of using ifort and mkl that come in one package ?
check
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
for the correct mkl settings

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "shamik chakrabarti [shamikphy at gmail.com]
Gesendet: Dienstag, 31. Mai 2011 08:57
Bis: A Mailing list for WIEN2k users
Betreff: [Wien] error during compilation (siteconfig_lapw)

Dear Dr. Peter Blaha Sir and Wien2k users,

                We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error :
Compile time errors (if any) were:
SRC_aim/compile.msg:make[1]: *** [aim] Error 1
SRC_aim/compile.msg:make: *** [real] Error 2
SRC_aim/compile.msg:make[1]: *** [aimc] Error 1
SRC_aim/compile.msg:make: *** [complex] Error 2
SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1
SRC_lapw2/compile.msg:make: *** [real] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
SRC_lapw2/compile.msg:make: *** [complex] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1
SRC_lapwdm/compile.msg:make: *** [real] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
SRC_lapwdm/compile.msg:make: *** [complex] Error 2
SRC_lapwso/compile.msg:make: *** [lapwso] Error 1
SRC_mini/compile.msg:make: *** [mini] Error 1
SRC_pairhess/compile.msg:make: *** [pairhess] Error 1
SRC_qtl/compile.msg:make: *** [qtl] Error 1
SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1
SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1

We check accordingly compile.msg files and are giving relevant area for your consideration:

CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED.
CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED.
CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch.
ifort -o ./aim moduls.o charge.o  gbass.o  gener.o  aim.o main1.o  outin.o  radial.o  reduc.o  rsur.o rotat.o  rotate.o  rotato.o  rotdef1.o sternb.o sum.o  vnorm.o  ylm.o  dtylm.o  sumd.o  grhosphe.o dradial.o  gen_change.o  rotat_back.o  rotate_back.o gen_brav.o  interst.o  sphere.o  init.o  onestep.o rsurf.o  gauleg.o  critic.o  surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o  intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o   -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread
follown.o: In function `maxeigen_.J':
follown.f:(.text+0xcf): undefined reference to `dsyev_'
follown.o: In function `maxeigen_.A':
follown.f:(.text+0x1e3): undefined reference to `dsyev_'
follown.o: In function `stepper_.J':
follown.f:(.text+0x320): undefined reference to `dsyev_'
follown.o: In function `stepper_.A':
follown.f:(.text+0x61f): undefined reference to `dsyev_'
follown.o: In function `follown_.J':
follown.f:(.text+0xe35): undefined reference to `dsyev_'
follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow
make[1]: *** [aim] Error 1
make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim'
make: *** [real] Error 2
if [ -f .real ]; then \
  make clean; \

Below we are giving the compiler options:

current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW -traceback
current:FPOPT:$(FOPT)
current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread
current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t

any response in this regard will be very helpful for us. Thanks in advance.

with best regards,


--
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA