Hi all,
I get serve DftiCreateDescriptorDM initialization error in fortran version Cluster FFT functions (while I have no problem with c version compiling with similar code), could someone help me find what's going wrong?
The following code 'test.f90' is simplified after following the cdftf examples.
INCLUDE 'mkl_cdft.f90'
program main
LOGICAL :: FAILURE
integer, parameter :: N=2
complex*16 :: psi(N,N)
call fft2D(psi_in, N, FAILURE)
if (FAILURE) then
write(*,*)"fft cal fail"
STOP 1
else
write(*,*)"call success"
end if
end program
subroutine fft2D(psi_in, N0, FAILURE)
USE MKL_CDFT
USE MPI
!!!!!!MODIFY CORRESPONDINGLY!!!!!!
integer, intent(in) :: N0
complex*16, intent(inout) :: psi_in(N0,N0)
LOGICAL, intent(out) :: FAILURE
!MPI RELATED VARIABLES
INTEGER ROOTRANK
INTEGER MPI_ERR
INTEGER MPI_NPROC
INTEGER MPI_RANK
INTEGER COMM
INTEGER MKL_COMM
!pointer to descriptor
TYPE(DFTI_DESCRIPTOR_DM), POINTER :: DESC
INTEGER STATUS
INTEGER LENGTHS(2)
FAILURE = .FALSE.
!!Initiate MPI by calling MPI_Init (Perform MPI initialization)
call MPI_INIT ( MPI_ERR )
write(*,*)"MPI INIT SUCCEED"
COMM = MPI_COMM_WORLD
MKL_COMM = MPI_COMM_WORLD
CALL MPI_COMM_SIZE(COMM, MPI_NPROC, MPI_ERR)
CALL MPI_COMM_RANK(COMM, MPI_RANK, MPI_ERR)
IF (MPI_RANK .EQ. 0) THEN
PRINT '(" Program is running on ",I2," processes"/)',MPI_NPROC
END IF
write(*,*)"N0=",N0
LENGTHS(1)=N0
LENGTHS(2)=N0
!! Allocate memory for the descriptor by calling DftiCreateDescriptorDM
STATUS = DftiCreateDescriptorDM ( COMM, DESC, DFTI_DOUBLE, DFTI_COMPLEX, 2, LENGTHS )
IF (STATUS .NE. DFTI_NO_ERROR) THEN
write(*,*)"STATUS=",STATUS
FAILURE = .TRUE.
return
END IF
!! Release memory allocated for a descriptor: Free DftiDM descriptor
STATUS = DftiFreeDescriptorDM(DESC)
!Finalize MPI
CALL MPI_FINALIZE(MPI_ERR)
return
end subroutine
The Makefile is given below:
#***********MAKEFILE FOR FFT BASED-CALCULATION*************
#
# Yingda Chen.2018.2.3
#
#**********************************************************
IFC= /opt/intel/impi/4.1.1.036/intel64/bin/mpiifort
OBJECTS= test.o
LIBES= -lmkl_cdft_core -lmkl_intel_thread -lmkl_intel_ilp64 \
-lmkl_core -lmkl_blacs_intelmpi_ilp64 -openmp -lpthread
# -lmkl_lapack95_ilp64
OPTIMIZE= -O3
INCLUDEPATH= -I/opt/intel/composer_xe_2011_sp1.11.339/compiler/include \
-I/opt/intel/composer_xe_2011_sp1.11.339/mkl/include \
-I/opt/intel/impi/4.1.1.036/intel64/include \
#-I/opt/intel/composer_xe_2011_sp1.11.339/mkl/include/intel64/ilp64 \
LIBPATH= -L/opt/intel/composer_xe_2011_sp1.11.339/mkl/lib/intel64 \
-L/opt/intel/composer_xe_2011_sp1.11.339/compiler/lib/intel64 \
-L/opt/intel/impi/4.1.1.036/intel64/lib
test : $(OBJECTS)
$(IFC) $^ -o $@ $(INCLUDEPATH) $(LIBPATH) $(LIBES) $(OPTIMIZE)
test.o : test.f90
$(IFC) -c $^ $(INCLUDEPATH) $(OPTIMIZE)
.PHONY : clean cleanobj cleanmod
clean : cleanobj cleanmod
$(RM) test
cleanobj :
$(RM) *.o
cleanmod :
$(RM) *.mod
The results turn out to be: (using mpirun with 2 cores)
MPI INIT SUCCEED
Program is running on 2 processes
N0= 2
STATUS= 1
fft cal fail
MPI INIT SUCCEED
N0= 2
STATUS= 1
fft cal fail
I further check the variable STATUS, it returns 1, indicating some allocation error, however STILL CAN'T FIGURE OUT why this appears since this initialization only involve with some official declarations such as MPI_COMM_WORLD, DM type pointer as well as dimension info.
I have spent a couple of days dealing with this Cluster version of FFT functions, just hope to speed up the FFT calling (while the sequential version is working all right), so MANY MANY THANKS FOR HELPING ME DEALING WITH THIS ISSUE.
