[Wien] Intel mpi libraries

[Fred Nastos]

On January 2, 2005 01:47 pm, L. D. Marks wrote:
> Has anyone worked out the appropriate libraries for the mpi versions using
> Intel's mklcluster72 & mpi packages. (It will be for some large
> calculations with a large GMAX when lapw0 gets slowish.)

I don't if this helps, but just before the holidays, I helped
someone get Wien2k to compile using the mklcluster 7.2
and MPI packages for Myrinet. Below are the relevent
variables from the lapw1 Makefile. I have not heard back
from them about whether the computations actually
worked properly though (it did compile cleanly though).

As I'm sure you know, the order in which the libraries are
listed in RP_LIBS is crucial.

FC = ifort
MPF = mpif90
CC = cc
FOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
FPOPT = -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
DParallel = '-DParallel'
LDFLAGS = -L/opt/intel/mkl72cluster/lib/32 -Vaxlib -static-libcxa -pthread
R_LIBS = -lmkl_lapack -lmkl_ia32 -lguide
C_LIBS = $(R_LIBS)
RP_LIBS = $(R_LIBS) -L /opt/intel/mkl72cluster/lib/32 -lmkl_scalapack 
-lmkl_blacsF77init -lmkl_blacs -lmkl_blacsF77init -lmkl_lapack -lmkl_ia32 
-lguide -lpthread -L /opt/mpich-gm/lib -lmpich
CP_LIBS = $(RP_LIBS)

Good luck

> -----------------------------------------------
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2225 N Campus Drive
> Northwestern University
> Evanston, IL 60201, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L - marks @ northwestern . edu
> http://www.numis.northwestern.edu
> -----------------------------------------------
>
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