[CP2K:4257] Parallel cp2k installation trouble

Jana jahodov... at gmail.com
Mon Jan 21 17:32:03 CET 2013


Hi Alin,

I've loaded modules gcc-4.5.2, mpich2-intel and intelcdk-12 (for ifort). 
I used the arch file according to uname:
Linux 2.6.26-2-xen-amd64 #1 SMP Thu Apr 26 19:04:13 CEST 2012 x86_64 x86_64 
x86_64 GNU/Linux


For the compilation from the makefiles directory I go just 
$ make -j 20 ARCH=Linux-x86-64-intel VERSION=popt

Here's the arch file

CC       = cc
CPP      = 
FC       = ifort 
LD       = ifort
AR       = ar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__SCALAPACK -D__BLACS  
-D__LAPACK -D__BLAS -D__FFTW3 -D__LIBINT
CPPFLAGS = 
FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O3 -xW -heap-arrays 64 -funroll-loops 
-fpp -free
# FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -xW -heap-arrays 64 -fpp -free
LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
LIBS =  -l/home/mathausj/lib_sc/libscalapack.a \
-l/home/mathausj/BLACS/LIB/blacsF77init_MPI-LINUX-1.a \
-l/home/mathausj/BLACS/LIB/blacs_MPI-LINUX-1.a \
-l/home/mathausj/atl_jm/lib/liblapack.a \
-l/home/mathausj/atl_jm/lib/libptlapack.a \
-l/home/mathausj/atl_jm/lib/libatlas.a \
-l/home/mathausj/atl_jm/lib/libcblas.a \
-l/home/mathausj/atl_jm/lib/libf77blas.a \
-l/home/mathausj/atl_jm/lib/libf77refblas.a \
-l/home/mathausj/atl_jm/lib/libptf77blas.a \
-l/home/mathausj/atl_jm/lib/libsatlas.so \
-l/home/mathausj/atl_jm/lib/libtatlas.so \
-l/home/mathausj/atl_jm/lib/libtstatlas.a \
-l/home/mathausj/fftw/lib/libfftw3.a \
-l/home/mathausj/libint/adep/lib/libint2.a \

OBJECTS_ARCHITECTURE = machine_intel.o

graphcon.o: graphcon.F
    $(FC) -c $(FCFLAGS2) $<


On Monday, January 21, 2013 5:13:42 PM UTC+1, Alin Marin Elena wrote:
>
>  Hi Jana,
>
>  
>
> Can you please post the arch file you are using.. and the compiler 
> versions... 
>
> also the commands you use are to generate the error.
>
>  
>
> Alin
>
>
>
>
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> ______________________________________________________________________
>
> Alin Marin ELENA
>
> Advanced Molecular Simulation Research Laboratory
>
> School of Physics, University College Dublin
>
> ----
>
> Ardionsamblú Móilíneach Saotharlann Taighde
>
> Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath
>
>  
>
>
> -----------------------------------------------------------------------------------
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> http://alin.elenaworld.net
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