problem of recompiling cp2k

Jun chen... at googlemail.com
Mon Aug 3 16:04:58 CEST 2009


Dear all,

I am trying to update cp2k to the latest version, and recompiling it.
But I failed using the same arch file, compiler (fce/11.0.074) and
libraries (cmkl/10.1.0.015). The error appears at compiling
message_passing.F:
*************************************************************************
mpif90 -c -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
D__FFTW3 -I//usr/local/Cluster-Apps/intel/cmkl/10.2.1.017/include/ -I//
usr/local/Cluster-Apps/fftw/intel/64/3.2/include/ -O3 -xW -heap-arrays
64 -funroll-loops -fpp -free -D__COMPILE_ARCH="\"Linux-x86-64-intel
\""  /home/jc590/cp2k/makefiles/../src/message_passing.F
/home/jc590/cp2k/makefiles/../src/reference_manager.F(214): (col. 8)
remark: LOOP WAS VECTORIZED.
/home/jc590/cp2k/makefiles/../src/reference_manager.F(217): (col. 11)
remark: LOOP WAS VECTORIZED.
/home/jc590/cp2k/makefiles/../src/reference_manager.F(222): (col. 8)
remark: LOOP WAS VECTORIZED.
mpif90 -c -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
D__FFTW3 -I//usr/local/Cluster-Apps/intel/cmkl/10.2.1.017/include/ -I//
usr/local/Cluster-Apps/fftw/intel/64/3.2/include/ -O3 -xW -heap-arrays
64 -funroll-loops -fpp -free -D__COMPILE_ARCH="\"Linux-x86-64-intel
\""  /home/jc590/cp2k/makefiles/../src/cp_files.F
/home/jc590/cp2k/makefiles/../src/message_passing.F(5111): error
#6404: This name does not have a type, and must have an explicit
type.   [MPI_LOCK_EXCLUSIVE]
    exclusivity = MPI_LOCK_EXCLUSIVE
------------------^
/home/jc590/cp2k/makefiles/../src/message_passing.F(5113): error
#6404: This name does not have a type, and must have an explicit
type.   [MPI_LOCK_SHARED]
       IF (shared) exclusivity = MPI_LOCK_SHARED
---------------------------------^
/home/jc590/cp2k/makefiles/../src/message_passing.F(5117): error
#6404: This name does not have a type, and must have an explicit
type.   [MPI_MODE_NOCHECK]
       IF (nocheck) assertion = MPI_MODE_NOCHECK
--------------------------------^
/home/jc590/cp2k/makefiles/../src/message_passing.F(5193): error
#6404: This name does not have a type, and must have an explicit
type.   [MPI_MODE_NOSTORE]
       IF (nothing_stored) assertion = assertion + MPI_MODE_NOSTORE
---------------------------------------------------^
/home/jc590/cp2k/makefiles/../src/message_passing.F(5196): error
#6404: This name does not have a type, and must have an explicit
type.   [MPI_MODE_NOPUT]
       IF (no_put_follows) assertion = assertion + MPI_MODE_NOPUT
---------------------------------------------------^
/home/jc590/cp2k/makefiles/../src/message_passing.F(5199): error
#6404: This name does not have a type, and must have an explicit
type.   [MPI_MODE_NOPRECEDE]
       IF (no_pre_access) assertion = assertion + MPI_MODE_NOPRECEDE
--------------------------------------------------^
/home/jc590/cp2k/makefiles/../src/message_passing.F(5202): error
#6404: This name does not have a type, and must have an explicit
type.   [MPI_MODE_NOSUCCEED]
       IF (no_post_access) assertion = assertion + MPI_MODE_NOSUCCEED
---------------------------------------------------^
compilation aborted for /home/jc590/cp2k/makefiles/../src/
message_passing.F (code 1)
make[1]: *** [message_passing.o] Error 1
make[1]: *** Waiting for unfinished jobs....
*************************************************************************

my arch file is

CC       = icc
CPP      =
FC       = mpif90
LD       = mpif90
AR       = ar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
D__FFTW3
CPPFLAGS =
FCFLAGS  = $(DFLAGS) -O3 -xT -funroll-loops -fpp -free
LDFLAGS  = $(FCFLAGS)
INTEL_LIB = /usr/local/Cluster-Apps/intel/cmkl/10.1.0.015/lib/em64t
FFTW_LIB = /usr/local/Cluster-Apps/fftw/intel/64/3.2/lib
LIBS     = $(INTEL_LIB)/libmkl_scalapack.a \
           $(INTEL_LIB)/libmkl_blacs_lp64.a \
           $(INTEL_LIB)/libmkl_lapack.a \
           $(INTEL_LIB)/libmkl_em64t.a \
           $(INTEL_LIB)/libguide.a \
           $(FFTW_LIB)/libfftw3.a

OBJECTS_ARCHITECTURE = machine_intel.o
*************************************************************************

I noticed message_passing.F was changed after my last successful
compilation. Not sure if it is relevant. Has anyone seen similar
errors before? Any suggestion will be appreciated.

Regards,
Jun



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