[Wien] compiling with PGI 6.0

[Peter Blaha]

Yes, I've done this.

FC = pgf95
MPF = mpif90.p
CC = pgcc
FPOPT = -Mfree -Mipa=fast -O3 -pc 80 -mcmodel=medium 
DParallel = '-DParallel'
FGEN = $(PARALLEL)
LDFLAGS = -L../SRC_lib  
R_LIBS = -llapack -lgoto_p4-64_1024p-r0.97 ../SRC_lib/xerbla.o -lpthread
C_LIBS = $(R_LIBS)
RP_LIBS = $(R_LIBS)  -Mscalapack

It was quite simple and -Mscalapack takes care of everything.
However, I could not use -fast (or the results were wrong) 
and the compiler was very slow.
I recommend using intels ifort64-bit (and also their cluster-development 
kit for scalapack) and the newest goto library.

> Dear all,
> I am trying to compile WIEN2k_5.4 on a cluster of 16 dual Xeon processors
> with the PGI 6.0 compiler, which has lapack, blas, blacs and scalapack 
> libraries included. But I failed at the step of compile the parallel version 
> of the program.
> Has anybody been successful doing that? What are the options to be used?
> 
> Thank you!
> Regards, Griselda.
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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