[Wien] compile time error during installation of wien2k 11 with the latest compilers

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Jul 7 12:08:06 CEST 2011


Probably because you installed a 32-bit Linux version on that laptop ???

and do you have the recommended "source ....compilervars.sh ... " line in your .bashrc ??


Am 07.07.2011 11:56, schrieb shamik chakrabarti:
>
> Dear Wien2k users,
>
>                            We are trying to install wien2k 11 in a Compaq Laptop having core2duo processor by using the latest compilers (ifort+mkl). The used OPTION is given below:
>
> FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> LDFLAGS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -pthread
> DPARALLEL:'-DParallel'
> R_LIBS:-lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -openmp -lpthread
>
> using these OPTIONS when we compile all the programs the following errors appeared:
>
> Compile time errors (if any) were:
>
> SRC_lapw0/compile.msg:W2kinit.F(28): error #5102: Cannot open include file 'mkl_vml.fi <http://mkl_vml.fi>'
>
> SRC_lapw0/compile.msg:make[1]: *** [W2kinit.o] Error 1
>
> SRC_lapw0/compile.msg:make: *** [seq] Error 2
>
>
> We are not able to figure out why these errors appear as *mkl_vml.fi <http://mkl_vml.fi> is in the include directory of mkl. *Another thing may be worthy to mention here that
> although we are using core2duo processor, during installation of ifort , the compiler choose the ia32 environment by itself.
>
> Any response in this regard will be very helpful for us. Thanks in advance.
>
> with regards,
>
> --
> Shamik Chakrabarti
> Research Scholar
> Dept. of Physics & Meteorology
> Material Processing & Solid State Ionics Lab
> IIT Kharagpur
> Kharagpur 721302
> INDIA
>
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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