ifort Os X compilation error cp2k-2.X + ifort + openmpi1.10 ; TCP

[F Eric]

Dear all,

I just wanted to indicate that there is apparently some unneeded spaces 
that cause compilation errors when trying to build an openmpi enabled cp2k 
version with the OsX ifort.
Removing those spaces solves the problem. I also join my openmpi makefile 
if ppl may find it useful, given that there is no 
Darwin-IntelMacintosh-intel.popt  makefile available in the standard 
distribution.

Thanks 

Eric 


mpif90 -FR -c -D__HAS_NO_MPI_MOD -D__INTEL -D__FFTSG -D__parallel -D__BLACS 
-D__SCALAPACK  -D__FFTMKL -I -O2 -xHost -heap-arrays 64 
ps_wavelet_kernel.f90 

ps_wavelet_kernel.f90(1253): error #5082: Syntax error, found 
END-OF-STATEMENT when expecting one of: => = . [ % (

  CPPrecondition (nd1.GE.n1,cp_failure_level,routineP,error,failure)

--------------------------------------------------------------------^

ps_wavelet_kernel.f90(1254): error #5082: Syntax error, found 
END-OF-STATEMENT when expecting one of: => = . [ % (

  CPPrecondition (nd2.GE.n2 ,cp_failure_level,routineP,error,failure)

---------------------------------------------------------------------^

ps_wavelet_kernel.f90(1255): error #5082: Syntax error, found 
END-OF-STATEMENT when expecting one of: => = . [ % (

  CPPrecondition (nd3.GE.n3/2+1 ,cp_failure_level,routineP,error,failure)

-------------------------------------------------------------------------^

ps_wavelet_kernel.f90(1256): error #5082: Syntax error, found 
END-OF-STATEMENT when expecting one of: => = . [ % (

  CPPrecondition (MOD(nd3,nproc).EQ.0 
,cp_failure_level,routineP,error,failure)

-------------------------------------------------------------------------------^

ps_wavelet_kernel.f90(1257): error #5082: Syntax error, found 
END-OF-STATEMENT when expecting one of: => = . [ % (

  CPPrecondition (MOD(nd2,nproc).EQ.0 
,cp_failure_level,routineP,error,failure)

-------------------------------------------------------------------------------^

compilation aborted for ps_wavelet_kernel.f90 (code 1)


mpif90 -FR -c -D__HAS_NO_MPI_MOD -D__INTEL -D__FFTSG -D__parallel -D__BLACS 
-D__SCALAPACK  -D__FFTMKL -I -O2 -xHost -heap-arrays 64 wiener_process.f90 

wiener_process.f90(131): error #5082: Syntax error, found END-OF-STATEMENT 
when expecting one of: => = . [ % (

    CPPrecondition 
(ASSOCIATED(md_env),cp_failure_level,routineP,error,failure)

-------------------------------------------------------------------------------^

wiener_process.f90(241): error #5082: Syntax error, found END-OF-STATEMENT 
when expecting one of: => = . [ % (

    CPPrecondition 
(ASSOCIATED(distribution_1d),cp_failure_level,routineP,error,failure)

----------------------------------------------------------------------------------------^

compilation aborted for wiener_process.f90 (code 1)


mpif90 -FR -c -D__HAS_NO_MPI_MOD -D__INTEL -D__FFTSG -D__parallel -D__BLACS 
-D__SCALAPACK  -D__FFTMKL -I -O2 -xHost -heap-arrays 64 qmmm_update.f90 

qmmm_update.f90(261): error #5082: Syntax error, found END-OF-STATEMENT 
when expecting one of: => = . [ % (

     CPPrecondition 
(ASSOCIATED(from_local_particles),cp_failure_level,routineP,error,failure)

----------------------------------------------------------------------------------------------^

qmmm_update.f90(262): error #5082: Syntax error, found END-OF-STATEMENT 
when expecting one of: => = . [ % (

     CPPrecondition 
(ASSOCIATED(to_local_particles),cp_failure_level,routineP,error,failure)

--------------------------------------------------------------------------------------------^

qmmm_update.f90(265): error #5082: Syntax error, found END-OF-STATEMENT 
when expecting one of: => = . [ % (

     CPPrecondition (.NOT. 
ASSOCIATED(to_local_particles%local_particle_set),cp_failure_level,routineP,error,failure)

---------------------------------------------------------------------------------------------------------------------^

qmmm_update.f90(279): error #5082: Syntax error, found END-OF-STATEMENT 
when expecting one of: => = . [ % (

     CPPrecondition (tot_from_nparticle_local == tot_to_nparticle_local, 
cp_failure_level,routineP,error,failure)

-----------------------------------------------------------------------------------------------------------------^

qmmm_update.f90(305): error #5082: Syntax error, found END-OF-STATEMENT 
when expecting one of: => = . [ % (

           CPPostcondition (found_it, 
cp_failure_level,routineP,error,failure)

------------------------------------------------------------------------------^

compilation aborted for qmmm_update.f90 (code 1)




Darwin-IntelMacintosh-intel.poptO2+mkl+fftmkl_xHost_ifort16 : 

# by default some intel compilers put temporaries on the stack

# this might lead to segmentation faults if the stack limit is set to low

# stack limits can be increased by sysadmins or e.g with ulimit -s 256000

# furthermore new ifort (tested to work fine with 10.0.025) compilers 
support the option

# -heap-arrays 64

# add this to the compilation flags if the other options do not work


OPENMPIPATH = ~/Documents/Progs-CQ/openmpi-1.10.0_bin_ifort16


CC       = ${OPENMPIPATH}/bin/mpicc

CPP      = cpp -xassembler-with-cpp

FC       = ${OPENMPIPATH}/bin/mpif90 -FR

LD       = ${OPENMPIPATH}/bin/mpif90 

AR       = ar -r

RANLIB   = ranlib

#INC_FFTW = "/usr/local/include"


DFLAGS   = -D__HAS_NO_MPI_MOD -D__INTEL -D__FFTSG -D__parallel -D__BLACS 
-D__SCALAPACK  -D__FFTMKL

#

# -D__HAS_NO_MPI_MOD required with ifort16 + Yosemite

#

#DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK  
-D__FFTMKL

CPPFLAGS = -traditional -C $(DFLAGS) -P -I$(INC_FFTW)


FCFLAGS  = $(DFLAGS) -I$(INC_FFTW) -O2 -xHost -heap-arrays 64


LDFLAGS  = $(FCFLAGS) -static-intel


#BLAS_LIBS=-Wl,-framework -Wl,Accelerate 

#LAPACK_LIBS=-Wl,-framework -Wl,Accelerate


SCALAPACKPATH = ~/Documents/Progs-CQ/scalapack-2.0.2_ifort-16.0.33+mkl

SCALAPACK_LIBS=${SCALAPACKPATH}/libscalapack.a


#FFTW3_LIB=/usr/local/lib/libfftw3.a


LIBS     = $(FFTW3_LIB) $(SCALAPACK_LIBS) $(BLACS_LIBS) 
$(MKLROOT)/lib/libmkl_intel_lp64.a\

           $(MKLROOT)/lib/libmkl_sequential.a\

           $(MKLROOT)/lib/libmkl_core.a\

           -lpthread -lm


OBJECTS_ARCHITECTURE = machine_intel.o



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