[CP2K-user] compilation of trunk version of CP2K on ARCHER/EPCC

[S. Ling]

Hi

I was trying to compile the latest version of CP2K on ARCHER (Cray XC30), 
and for some reason, the compilation failed at the dbcsr_mpiwrap.F step 
(see error message below). Do you have any idea on what could go wrong? 
Please also see below for the arch file I have used.
 
Thanks,
 
SL
 
##########
/home3/xxx/ChemSoft/cp2k/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:4164:28:
 
    SUBROUTINE mp_sum_root_${nametype1}$m(msg, root, gid)
                            2
Error: Ambiguous interfaces in generic interface 'mp_sum' for 
'mp_sum_root_zv' at (1) and 'mp_sum_root_zm' at (2)
/home3/xxx/ChemSoft/cp2k/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:4209:31-31:
 
    SUBROUTINE mp_sum_partial_${nametype1}$m(msg, res, gid)
                               1
Error: Ambiguous interfaces in generic interface 'mp_sum_partial' for 
'mp_sum_partial_cm' at (1) and 'mp_sum_partial_zm' at (2)
make[4]: *** [dbcsr_mpiwrap.o] Error 1
make[3]: *** [libdbcsr] Error 2
make[2]: *** [dbcsr] Error 2
make[1]: *** [popt] Error 2
make: *** [all] Error 2
 
 

##########
CC       = cc
CPP      =
FC       = ftn -ffree-form 
LD       = ftn 
AR       = ar -r
DFLAGS   = -D__FFTW3 -D__LIBINT \
           -D__parallel -D__SCALAPACK -D__HAS_NO_SHARED_GLIBC \
           -D__STATM_RESIDENT -D__LIBXC -D__LIBXSMM -D__HAS_LIBGRID \
           -D__PLUMED2 -D__MPI_VERSION=3 -D__ELPA=201505 -D__MAX_CONTR=4
DATA_DIR = /work/y07/y07/cp2k/6.1.18464/data
LIB_LOC  = /usr/local/packages/cp2k/6.1.18464/libs
LIBXC_VERSION = 4.2.1
CPPFLAGS = -traditional -C $(DFLAGS) -P
CFLAGS   = $(DFLAGS)
FCFLAGS  = $(DFLAGS) -I$(LIB_LOC)/libxsmm/include 
-I$(LIB_LOC)/libxc/${LIBXC_VERSION}/include/ 
-I$(LIB_LOC)/elpa/include/elpa-2015.05.001/modules/ 
-I$(LIB_LOC)/elpa/include
/elpa-2015.05.001/elpa/ -O3 -ffast-math -funroll-loops -fno-tree-vectorize 
-fno-omit-frame-pointer -g -march=core-avx-i -Waliasing -Wampersand 
-Wc-binding-type -Wconversion
 -Wintrinsic-shadow -Wintrinsics-std -Wline-truncation -Wno-tabs 
-Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow -Wunused-but-set-variable 
-Wunused-variable -std=f2003
LDFLAGS  = $(FCFLAGS)
LIBS     = -L$(LIB_LOC)/libint/lib -lderiv -lint -lstdc++ \
           -L$(LIB_LOC)/libgrid -lgrid \
           -L$(LIB_LOC)/libxsmm/lib -lxsmmf -lxsmm -lxsmmext \
           -L$(LIB_LOC)/libxc/${LIBXC_VERSION}/lib -lxcf03 -lxcf90 -lxc \
           -L$(LIB_LOC)/elpa/lib -lelpa \
           -lfftw3 -lz -ldl
include $(LIB_LOC)/plumed/lib/plumed/src/lib/Plumed.inc
EXTERNAL_OBJECTS=$(PLUMED_STATIC_DEPENDENCIES)



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