[Wien] help to compile! IBM fortran

[Torsten Andersen]

Dear Lyudmila,

I believe you need ScaLapack installed if you want to use mpif90... but 
another source of problem could be if you are mixing 64-bit and 32-bit 
libraries, which I can't see from your description.

Unless you only have 1 k-point and several CPUs that can communicate 
without a network, lapw1_mpi is not recommended for speed reasons.

Best regards,
Torsten.

Lyudmila Dobysheva wrote:
> Dear all,
> 
> I am trying to make compilation for parallel calculations, it gives an error 
> in linking.
> mpif90 -WF,-DParallel -c *.F
> ** *   === End of Compilation 1 ===
> 1501-510  Compilation successful for file *.F.
> 
> mpif90  -o ./lapw1_mpi abc.o atpar.o bandv1.o .... pdsyr2m.o pzher2m.o 
> -L../SRC_lib -lessl -llapack_lapw
> 
> ld: skipping incompatible ../SRC_lib/liblapack_lapw.a when searching for
> -llapack_lapw
> ld: cannot find -llapack_lapw
> make[1]: *** [lapw1_mpi] Error 1
> ^^^^^^^^^^^^^^^^^^^
> When making lapack_lapw, I have made clean, then make:
> 
> xlf90 -c -qmaxmem=-1 -O lapack_lapw1.f
> ** dladiv   === End of Compilation 1 ===
> ...
> ** lsame   === End of Compilation 65 ===
> 1501-510  Compilation successful for file lapack_lapw1.f.
> xlf90 -c -qmaxmem=-1 -O lapack_lapw1_2k.f
> ** dlacpy   === End of Compilation 1 ===
> ...
> ** zunmtr   === End of Compilation 33 ===
> 1501-510  Compilation successful for file lapack_lapw1_2k.f.
> ...
> 1501-510  Compilation successful for file dlapy3.f.
> ar rv ../liblapack_lapw.a lapack_lapw1.o ... dlapy3.o
> ar: creating ../liblapack_lapw.a
> a - lapack_lapw1.o
> ...
> a - dlapy3.o
> ranlib ../liblapack_lapw.a
> Library '../liblapack_lapw.a' is up-to-date now.
> ^^^^^^^^^^^^
> I see nothing bad in the compilation of the lapack_lapw
> (just for a question: without option -qmaxmem=-1 it gives the same result, 
> excluding some warnings about possible better optimisation).
> 
> The compiler is IBM fortran xlf90 (mpif90)
> Computer PowerPC 970
> 
> Operation system SuSe Linux Enterprise Server version 8 (SLES8). 
> For parallel programming the package MPICH-GM version 1.2.5..12 is used.
> 
> Best regards
>   Lyudmila Dobysheva 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/