[CP2K:2196] problem of recompiling cp2k

Teodoro Laino teodor... at gmail.com
Mon Aug 3 16:14:19 CEST 2009


Dear Jun,

with some recent changes to mpi, the only way to compile cp2k is with 
MPI 2.0.
There was already a message on this topic from Axel:

http://groups.google.com/group/cp2k/browse_thread/thread/7da466187cd105df

Teo

Jun wrote:
> 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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