[Wien] Regarding lapw1

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Tue Nov 25 15:58:14 CET 2003


> I tried to install the newest vesion of WIEN2k on a single CPU RedHat 9.0
> linux system running Lahey 95 compiler. There is a small bug in the hns.F
> in lapw1 directory, which does not allow the program to be compiled for
> the sequential case. There is a declaration in hns.F on line 82
>
>       INTEGER, EXTERNAL :: NUMROC
>
> This is used only in the parallel executions, but is not commented out for
> the sequential version of the extracted program and so the compiler is not
> able to compile the program properly. This variable is available only in
> the scalapack library and so we can not compile using just the blas and
> lapack libraries. Just commenting out this line compiles the lapw1 without
> any problems.

Thank you very much. Yes, this is a left over from parallelization.

Most compiler don't care and this statement does not matter, but for some
compilers simply remove this line.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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