Linux-ia64-intel.popt

[Luca]

Hi hawk,
Your library LIBS section do not seems complete.
This is my library section for my ia32 machine and it works for me

MKLPATH  = /opt/intel/mkl/9.1.023/lib/32
LDFLAGS  = $(FCFLAGS) -i-static  -O3  -xT -Vaxlib
LIBS     = $(MLPATH)/libscalapack.a \
           $(MLPATH)/libblacsCinit_MPI-LINUX-0.a \
           $(MLPATH)/libblacsF77init_MPI-LINUX-0.a \
           $(MLPATH)/libblacs_MPI-LINUX-0.a \
           $(MKLPATH)/libmkl_lapack.a \
           $(MKLPATH)/libmkl_ia32.a \
           $(MKLPATH)/libguide.a \
           /usr/lib/libfftw3.a -lpthread

OBJECTS_ARCHITECTURE = machine_intel.o

ifposix.int:
        touch ifposix.int

did you check mpi, blacs and scalapack ? do they work?
I had problem with parallel  library.... you can see in the group.

Luca

On Dec 8, 12:13 am, hawk2012 <hawk2... at gmail.com> wrote:
> I tried to compile a parallel version of CP2K on our 64 CPUs (ia64)
> smp machine. SuseLinux is our OS with the kernel: 2.6.5-7.244-sn2. The
> Intel Fortran compiler version 10.0.023 is installed. MPICH1.2.6 was
> compiled with such compiler to be a specific versivon under directory
> mpich.ifort. The necessary libraries can be found under directory lib/
> blacsCinit_MPI-LINUX-0.a    blacs_MPI-LINUX-0.a  libblacsF77init.a
> libmkl_lapack.a   libmkl.so
> blacsF77init_MPI-LINUX-0.a  libblacs.a           LIB.log
> libmkl_lapack.so  libscalapack.a
> Also Intel MKL library can be found under intel/mkl/lib/64/
> libguide.a   libmkl_gfortran.a   libmkl_i2p.so  libmkl_ipf.a
> libmkl_lapack.so  libmkl_solver.a    libvml.so
> libguide.so  libmkl_gfortran.so  libmkl_ias.so  libmkl_lapack.a
> libmkl.so         libmkl_vml_i2p.so
>
> The archtecture dependent file Linux-ia64-intel.popt is modified as
> below:
> CC       = cc
> CPP      = cpp
> FC       = mpif90 -FR
> FC_fixed = mpif90 -FI
> LD       = mpif90
> AR       = ar -r
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK
> CPPFLAGS = -C $(DFLAGS) -P -traditional
> FCFLAGS  = -O2 -Vaxlib
> LDFLAGS  = $(FCFLAGS) -L/home/zeng/xczeng/lib \
>             -L/home/zeng/xczeng/intel/mkl/9.1.023/lib/64
> LIBS     = -lscalapack -lblacsF77init -lblacs\
>            -lmkl_lapack -lmkl -lguide
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
> No error message appeared during the compiling process after I issued
> the command 'make popt' under directory makefiles and the executable
> cp2k.popt can be found under exe/Linux-ia64-intel/
>
> Then I copied the executable cp2k.popt to tests/QS/.
> However, I got the following error message after I typed the command
> '~/mpich.ifort/bin/mpirun -np 2 cp2k.popt H2O.inp'
>  CP2K: The specified file /home/zeng/xczeng/junwang/cp2k/tests/QS can
> not be opened, it does not exist.
> 1
> The command 'ps aux|grep cp2k' showed a cp2k process:
> xczeng   32651 99.6  0.0 1123216 16032 pts/2   R    18:05 1:11 /home/
> zeng/xczeng/junwang/cp2k/tests/QS/cp2k.popt H2O.inp -p4pg /home/zeng/
> xczeng/junwang/cp2k/tests/QS/PI32583 -p4wd /home/zeng/xczeng/junwang/
> cp2k/tests/QS
> xczeng    1385  0.0  0.0   4160  1808 pts/2    S+   18:06   0:00 grep
> cp2k
>
> The following error message appeared when I tried to kill that process
> 32651:
>  forrtl: error (78): process killed (SIGTERM)
> Image              PC                Routine            Line
> Source
> cp2k.popt          400000000223F3D0  Unknown               Unknown
> Unknown
> cp2k.popt          4000000002237A60  Unknown               Unknown
> Unknown
> cp2k.popt          40000000022372E0  Unknown               Unknown
> Unknown
> cp2k.popt          400000000224BEC0  Unknown               Unknown
> Unknown
> cp2k.popt          40000000021F9030  Unknown               Unknown
> Unknown
> cp2k.popt          40000000021FDEA0  Unknown               Unknown
> Unknown
> cp2k.popt          4000000002170370  Unknown               Unknown
> Unknown
> cp2k.popt          40000000021ADDB0  Unknown               Unknown
> Unknown
> cp2k.popt          40000000021938E0  Unknown               Unknown
> Unknown
> cp2k.popt          40000000021CEC60  Unknown               Unknown
> Unknown
> cp2k.popt          400000000046D8D0  Unknown               Unknown
> Unknown
> cp2k.popt          4000000000031C70  Unknown               Unknown
> Unknown
> cp2k.popt          40000000000302F0  Unknown               Unknown
> Unknown
> cp2k.popt          40000000002ADFB0  Unknown               Unknown
> Unknown
> cp2k.popt          40000000001AFC70  Unknown               Unknown
> Unknown
> cp2k.popt          400000000000BEE0  Unknown               Unknown
> Unknown
> cp2k.popt          400000000000BCC0  Unknown               Unknown
> Unknown
> cp2k.popt          4000000000009B40  Unknown               Unknown
> Unknown
> cp2k.popt          4000000000008D90  Unknown               Unknown
> Unknown
> libc.so.6.1        2000000001571C50  Unknown               Unknown
> Unknown
> cp2k.popt          4000000000008B80  Unknown               Unknown
> Unknown
>
> Interestingly, I can successfully run a test job if I treated the
> executable cp2k.popt as a serial executable and issued the command './
> cp2k.popt H2O.inp'.
>
> Any idea?