I'll install and run the testers, as I don't believe the sysadmin did indeed do that. thanks for the pointer, I'll post once I have a result (or working system!). <div>On 5/29/07, Axel Kohlmeyer <<a href="mailto:akoh...@gmail.com">akoh...@gmail.com</a>> wrote:<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> eric, did your BLACS compilation pass all the BLACS testers? the fact, that it compiles successfully, does not mean that it executes correctly. with a complex package like BLACS/ScaLAPACK you need to make sure that this works correct independently. i tried openmpi-1.1 and it did not work for me (x86_64, intel 9.1). i upgraded to openmpi-1.2.1 and it worked. cheers, axel. On 5/29/07, Eric Shamay <<a href="mailto:eric....@gmail.com"> eric....@gmail.com</a>> wrote: > > I've managed to get the entire program to compile. Here are the > pertinent stats of the system: > > firstly, my arch file > --------------------------------------------- > PERL = perl > CC = mpicc > CPP = cpp > FC = mpif90 -FR > FC_fixed = mpif90 -FI > LD = mpif90 > AR = ar -r > MKLPATH = $(MKL)/lib/64 > DFLAGS = -D__INTEL -D__FFTSG -D__FFTW3 -D__parallel -D__BLACS - > D__SCALAPACK -D__FFTMKL -I$(FFTW)/include -I$(MKL)/include > CPPFLAGS = -C $(DFLAGS) -P -traditional > FCFLAGS = -O2 -Vaxlib -tpp2 > LDFLAGS = $(FCFLAGS) -L$(HOME)/lib -L$(FFTW)/lib -L$(MPI)/lib -L$ > (MKL)/lib/64 > #LIBS = -lmkl_scalapack -lmkl_blacsF77init -lmkl_blacs\ > # -lmkl_lapack -lmkl -lguide -lmpi -lfftw3 > LIBS = $(MKLPATH)/libmkl_blacs.a\ > $(MKLPATH)/libmkl_scalapack.a\ > $(MKLPATH)/libmkl_blacsF77init.a\ > $(MKLPATH)/libmkl_lapack.a\ > $(MKLPATH)/libmkl_blacs_intelmpi.a\ > $(MKLPATH)/libguide.a\ > -lpthread -lmpi -lmkl -lfftw3 > > OBJECTS_ARCHITECTURE = machine_intel.o > --------------------------------------------- > > intel/9.1 (for the compilers) > > > mpif90 -V > Intel(R) Fortran Itanium(R) Compiler for Itanium(R)-based applications > Version 9.1 Build 20070320 Package ID: <installpackageid> > > >mpicc -V > Intel(R) C Itanium(R) Compiler for Itanium(R)-based applications > Version 9.1 Build 20070320 Package ID: <installpackageid> > > mkl/7.2cluster_64 > > fftw/3.1.1 > > mpi/openmpi-1.1.5_intel-9.1 > > This setup finishes through the entire compilation and exits without > error. I then attempt to run a test as per the INSTALL file but by > running the command: > > > mpirun -np 8 $PATH_TO_CP2KEXE H2O.inp > H2O.out > > So far all the help was right on track and I've finally been able to > get it to compile, but now I'm stuck at this near-immediate crash > after trying to run the program in parallel. Any further help would be > greatly appreciated. > > ~Eric > > > > > -- ======================================================================= Axel Kohlmeyer <a href="mailto:akoh...@cmm.chem.upenn.edu">akoh...@cmm.chem.upenn.edu</a> <a href="http://www.cmm.upenn.edu"> http://www.cmm.upenn.edu</a> Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot. </div> -- ~E