compiling vasp 6.3.0 with HDF5 support
Posted: Fri Oct 14, 2022 6:55 am
Hi
I have compiled Vasp 6.3.0 (Ubuntu 20.04.4 LTS) using the intel_oneapi_base_kit and used it for some time. Now i tried to enable the HDF5 file support in the make.include and compile it again with the intel compiler, but this time it is giving me erorr. plz. have a look. It will be great if someone provide step by step method to enable HDF5 and compile it with intel api_base toolkit.
thank you
vhdf5_base.F(458): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: strlen
------------^
vhdf5_base.F(499): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.f90(2794): catastrophic error: Too many errors, exiting
compilation aborted for vhdf5_base.f90 (code 1)
make[2]: *** [makefile:166: vhdf5_base.o] Error 1
make[2]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/std'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:129: all] Error 1
make[1]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/std'
make: *** [makefile:17: std] Error 2
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c ml_ff_logfile.f90
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c command_line.f90
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c vhdf5_base.f90
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c mathtools.f90
vhdf5_base.F(6): error #7013: This module file was not generated by any release of this compiler. [HDF5]
use hdf5
------^
vhdf5_base.F(35): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5intermediategroup_id
----------^
vhdf5_base.F(36): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5infileid
----------^
vhdf5_base.F(37): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outfileid
----------^
vhdf5_base.F(38): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5wavefileid
----------^
vhdf5_base.F(39): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5ininputgroup_id
----------^
vhdf5_base.F(40): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outinputgroup_id
----------^
vhdf5_base.F(41): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outoriginalgroup_id
----------^
vhdf5_base.F(56): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T) :: create_inter_prop
----------^
vhdf5_base.F(203): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(217): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(231): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(246): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(262): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(273): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(315): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: fileid
------------^
vhdf5_base.F(343): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(345): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(356): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(369): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(371): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(386): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(388): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(409): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(425): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(450): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(456): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T) :: dset_id, attr_id, aspace, string_type
------------^
vhdf5_base.F(457): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: dimensions(1)
------------^
vhdf5_base.F(458): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: strlen
------------^
vhdf5_base.F(499): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.f90(2796): catastrophic error: Too many errors, exiting
compilation aborted for vhdf5_base.f90 (code 1)
make[2]: *** [makefile:166: vhdf5_base.o] Error 1
make[2]: *** Waiting for unfinished jobs....
make[2]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/gam'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:129: all] Error 1
make[1]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/gam'
make: *** [makefile:17: gam] Error 2
I have compiled Vasp 6.3.0 (Ubuntu 20.04.4 LTS) using the intel_oneapi_base_kit and used it for some time. Now i tried to enable the HDF5 file support in the make.include and compile it again with the intel compiler, but this time it is giving me erorr. plz. have a look. It will be great if someone provide step by step method to enable HDF5 and compile it with intel api_base toolkit.
thank you
vhdf5_base.F(458): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: strlen
------------^
vhdf5_base.F(499): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.f90(2794): catastrophic error: Too many errors, exiting
compilation aborted for vhdf5_base.f90 (code 1)
make[2]: *** [makefile:166: vhdf5_base.o] Error 1
make[2]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/std'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:129: all] Error 1
make[1]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/std'
make: *** [makefile:17: std] Error 2
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c ml_ff_logfile.f90
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c command_line.f90
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c vhdf5_base.f90
mpiifort -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2022.0.2/include/fftw -I/usr/include/hdf5/openmpi/ -c mathtools.f90
vhdf5_base.F(6): error #7013: This module file was not generated by any release of this compiler. [HDF5]
use hdf5
------^
vhdf5_base.F(35): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5intermediategroup_id
----------^
vhdf5_base.F(36): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5infileid
----------^
vhdf5_base.F(37): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outfileid
----------^
vhdf5_base.F(38): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5wavefileid
----------^
vhdf5_base.F(39): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5ininputgroup_id
----------^
vhdf5_base.F(40): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outinputgroup_id
----------^
vhdf5_base.F(41): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outoriginalgroup_id
----------^
vhdf5_base.F(56): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T) :: create_inter_prop
----------^
vhdf5_base.F(203): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(217): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(231): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(246): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(262): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(273): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(315): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: fileid
------------^
vhdf5_base.F(343): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(345): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(356): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(369): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(371): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(386): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(388): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(409): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(425): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(450): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(456): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T) :: dset_id, attr_id, aspace, string_type
------------^
vhdf5_base.F(457): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: dimensions(1)
------------^
vhdf5_base.F(458): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: strlen
------------^
vhdf5_base.F(499): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.f90(2796): catastrophic error: Too many errors, exiting
compilation aborted for vhdf5_base.f90 (code 1)
make[2]: *** [makefile:166: vhdf5_base.o] Error 1
make[2]: *** Waiting for unfinished jobs....
make[2]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/gam'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:129: all] Error 1
make[1]: Leaving directory '/home/sebastian/Programs/vasp.6.3.0/build/gam'
make: *** [makefile:17: gam] Error 2