[CPMD-list] problem with parallel CPMD binary (Linux IFC)

[Christian Tuma]

Dear all,

I tried to compile CPMD 3.5.2 with the IFC (6.0) to get a parallel
binary. Since the Configure script doesn't provide defaults for this
case I used the following setup:

...
FFLAGS =  -pc64 -unroll -w90 -w95
LFLAGS = -L/global-work/ct/ATLAS_ifc/lib/Linux_ATHLONSSE1_2 -llapack \
         -lf77blas -lcblas -latlas -Vaxlib
CFLAGS =
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC \
           -DPARALLEL -DMP_LIBRARY=__MPI -DMYRINET
CC = /global-work/ct/mpich124sh_intel/bin/mpicc
FC = /global-work/ct/mpich124sh_intel/bin/mpif77 -c -O3 -tp p6 -axiM
LD = /global-work/ct/mpich124sh_intel/bin/mpif77 -O3 -tp p6 -axiM
...

MPICH was used as the MPI library, built with the Intel compilers as well.
At link time everything seems to work - no error messages. (By the way,
why don't I need to link with the MPICH libs?)

Running this parallel binary on only one processor (mpirun -np 1 ...)
works fine. But as soon as I start a job on more than one processor
(mpirun -np 2 ...) I get this error message:

/global-work/ct/SOURCE352MPI_INTEL/cpmd.x: error while loading shared libraries: libcxa.so.1: cannot open shared object file: No such file or directory

When I say

> ldd /global-work/ct/SOURCE352MPI_INTEL/cpmd.x

I get

        libm.so.6 => /lib/libm.so.6 (0x40023000)
        libcxa.so.1 => /usr/loc/intel/compiler60/ia32/lib/libcxa.so.1 (0x40046000)
        libc.so.6 => /lib/libc.so.6 (0x400b4000)
        /lib/ld-linux.so.2 => /lib/ld-linux.so.2 (0x40000000)

But the file /usr/loc/intel/compiler60/ia32/lib/libcxa.so.1  exists!

Does anybody have an idea what went wrong?

Thanks,
Christian.

-- 
Christian Tuma             Humboldt-Universitaet Berlin
ct at chemie.hu-berlin.de     Arbeitsgruppe Quantenchemie (Prof. Sauer)
phone: +49-30-20937140     Brook-Taylor-Str. 2, 12489 Berlin, GERMANY
fax:   +49-30-20937136     http://www.chemie.hu-berlin.de/ag_sauer