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.
Installation of vasp6.4 with hdf5
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Re: Installation of vasp6.4 with hdf5
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
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
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- Administrator
- Posts: 282
- Joined: Mon Sep 24, 2018 9:39 am
Re: Installation of vasp6.4 with hdf5
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.
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.