My Community

I have installed hdf5.1.8.22 with mpiicc and mpiifort compilers in my computer. all the libraries and include files are in the directory of /home/scanmat/hdf5.

Then I made a makefile.include with the above path.

# Default precompiler options
CPP_OPTIONS = -DHOST=\"LinuxIFC\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Duse_bse_te \
-Dtbdyn \
-Dfock_dblbuf

CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)

FC = mpiifort
FCL = mpiifort

FREE = -free -names lowercase

FFLAGS = -assume byterecl -w

OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0

OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o
OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o
OBJECTS_O2 += fft3dlib.o

# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = icc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)

OBJECTS_LIB = linpack_double.o

# For the parser library
CXX_PARS = icpc
LLIBS = -lstdc++

##
## Customize as of this point! Of course you may change the preceding
## part of this file as well if you like, but it should rarely be
## necessary ...
##

# When compiling on the target machine itself, change this to the
# relevant target when cross-compiling for another architecture
VASP_TARGET_CPU ?= -xHOST
FFLAGS += $(VASP_TARGET_CPU)

# Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK)
# (Note: for Intel Parallel Studio's MKL use -mkl instead of -qmkl)
FCL += -qmkl=sequential
MKLROOT ?= /path/to/your/mkl/installation
LLIBS += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64
INCS =-I$(MKLROOT)/include/fftw

# HDF5-support (optional but strongly recommended)
CPP_OPTIONS+= -DVASP_HDF5
HDF5_ROOT ?= /home/scanmat/hdf5
LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
INCS += -I$(HDF5_ROOT)/include

# For the VASP-2-Wannier90 interface (optional)
#CPP_OPTIONS += -DVASP2WANNIER90
#WANNIER90_ROOT ?= /path/to/your/wannier90/installation
#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier

When I do make all i am facing the error

mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/scanmat/intel/oneapi/mkl/2022.1.0/include/fftw -I/home/scanmat/hdf5/include -c vhdf5_base.f90
vhdf5_base.F(1319): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),rarray,[product(rcount)])
---------------------^
vhdf5_base.F(1457): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),rarray,[product(rcount)])
---------------------^
vhdf5_base.F(1566): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),rarray,[product(rcount)])
---------------------^
vhdf5_base.F(1705): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),rarray,[product(rcount)])
---------------------^
vhdf5_base.F(1721): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),rarray,rdimensions)
---------------------^
vhdf5_base.F(2021): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),iarray,shape(array))
---------------------^
vhdf5_base.F(2041): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),iarray,shape(array))
---------------------^
vhdf5_base.F(2061): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),iarray,shape(array))
---------------------^
vhdf5_base.F(2088): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),iarray,shape(array))
---------------------^
vhdf5_base.F(2100): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),iarray,shape(array))
---------------------^
vhdf5_base.F(2112): error #6404: This name does not have a type, and must have an explicit type. [C_LOC]
call c_f_pointer(c_loc(array),iarray,shape(array))
---------------------^
compilation aborted for vhdf5_base.f90 (code 1)
make[2]: *** [makefile:167: vhdf5_base.o] Error 1
make[2]: Leaving directory '/home/scanmat/Documents/vasp.6.4.0/build/std'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:129: all] Error 1
make[1]: Leaving directory '/home/scanmat/Documents/vasp.6.4.0/build/std'
make: *** [makefile:17: std] Error 2


Can anyone help me with this.

Dear scanmat_centre,

Seems something is wrong with either the compilers or preprocessors. Are you sure you are using the correct ones in your flags?

I say this because c_f_pointer should be an intrinsic routine in both Intel and gcc distributions.

Kind regards,
Pedro Melo

Dear scanmat_centre,

the error you see might be related to hdf5. I suggest using one of the supported versions listed on our wiki page.
Also, make sure to compile your hdf5 with mpi-support by configuring with --enable-parallel.