CP2K compilation errors

Eric Shamay eric.... at gmail.com
Fri Jun 1 23:27:40 CEST 2007


BLACS installed just fine, and the tester verified a 100% pass. I then
installed scalapack. Here's my current popt arch file:

PERL     = perl
CC       = mpicc
CPP      = cpp
FC       = mpif90 -FR
FC_fixed = mpif90 -FI
LD       = mpif90
AR       = ar -r
BLACS    = $(HOME)/tmp/BLACS
DFLAGS   = -D__INTEL -D__FFTSG -D__FFTW3 -D__parallel -D__BLACS -
D__SCALAPACK -I$(FFTW)/include -I$(MKL)/include
CPPFLAGS = -C $(DFLAGS) -P -traditional
FCFLAGS  = -O2 -Vaxlib -tpp2
LDFLAGS  = $(FCFLAGS) -L$(FFTW)/lib -L$(MPI)/lib -L$(MKL)/lib/64 -L$
(BLACS)/LIB
#LIBS     = -lmkl_scalapack -lmkl_blacsF77init -lmkl_blacs -
lmkl_lapack -lmkl -lguide -lmpi -lfftw3
LIBS     = -lmkl_scalapack -$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a -$
(BLACS)/LIB/blacs_MPI-LINUX-0.a -lmkl_lapack -lmkl -      lguide -lmpi
-lfftw3

OBJECTS_ARCHITECTURE = machine_intel.o

I've installed openmpi 1.2, and I thought that by pointing to the new
blacs files (as above) that it would take care of the problem. This
doesn't seem to work. Using the commented LIBS line causes the
compiler to use the cluster mkl libraries, and the compilation works
just fine, the uncommented one does not compile.

Do I need to recompile BLACS and scalapack if using a newer version of
openmpi?
~Eric




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