[Wien] Compile question

[EB Lombardi]

Hello

Your compile.msg files contain lines such as

ld: cannot find -lmkl_lapack
ld: cannot find -lpblas

Firstly, have you installed the Intel Math Kernel Library? If you have, 
does the link path -L in siteconfig point to the right place? (e.g 
/opt/intel/mkl70/lib/32 or /export/intel/.......)

Secondly, it seems that you are compiling the MPI version of Wien2k. Is 
MPI, Scalapack and PBlas installed on your system? If not, answer No 
when siteconfig asks about MPI and Scalapack. If yes, do the link 
options point to the right places?
The k-vector parallelization available in the 'normal' version of Wien2k 
is usually sufficient. MPI parallelization is useful for big cases. See 
also section 5.5. of the UG and e-mails on "MPI" on the Wien list a 
while ago.

Regards

Enrico



mafei_79 at sohu.com wrote:

> Dear Wien2k developers and users:
>
> I am running Wien2k_05 on a machine of type IA-32 with operating 
> system Redhat Linux 9.0, fortran compiler ifort and math libraries 
> /export/compiler/intel/lib. Although it runs normally on a single 
> computer, when we recompile it for parallel mode in siteconfiguration 
> , there appear many errors as following, details in appedix. Please 
> help me!
>
> Yours sincerely
>
> F. Ma
>
> Compile time errors (if any) were:
>
> SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1
>
> SRC_filtvec/compile.msg:make: *** [real] Error 2
>
> SRC_filtvec/compile.msg:make[1]: *** [filtvecc] Error 1
>
> SRC_filtvec/compile.msg:make: *** [complex] Error 2
>
> SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1
>
> SRC_lapw0/compile.msg:make: *** [para] Error 2
>
> 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.m! sg:make: *** [complex] Error 2
>
> SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1
>
> SRC_lapw1/compile.msg:make: *** [rp] Error 2
>
> SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1
>
> SRC_lapw1/compile.msg:make: *** [cp] 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_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1
>
> SRC_lapw2/compile.msg:make: *** [rp] Error 2
>
> SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1
>
> SRC_lapw2/compile.msg:make: *** [cp] Error 2
>
> SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1
>
> SRC_lapw7/compile.msg:make: *** [real] Error 2
>
> SRC_lapw7/compile.msg:make[1]: *** [lapw7c] Error 1
>
> SRC_lapw7/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/compi! le.msg:make[1]: *** [lapwdmc] Error 1
>
> SRC_lapwdm/compile.msg:make: * ** [complex] Error 2
>
> SRC_lapwso/compile.msg:make: *** [lapwso] Error 1
>
> SRC_qtl/compile.msg:make: *** [qtl] Error 1
>
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