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Greetings!
I am trying to install vasp6.4 with hdf5. first i installed hdf5 with following commands
$ ./configure --prefix=/usr/local/hdf5 --enable-fortran --enable-cxx
$make
$make check
$make install
$ make check-install
then the path given in makefile. include is as below
# HDF5-support (optional but strongly recommended)
CPP_OPTIONS+= -DVASP_HDF5
HDF5_ROOT ?= /usr/local/hdf5
LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
INCS += -I$(HDF5_ROOT)/include
when ihad tried for make all in vasp directory it show an error
(base) ramesh@ramesh-OptiPlex-9020:~/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0$ make all
if [ ! -d build/std ] ; then mkdir -p build/std ; fi
cp src/makefile src/.objects src/makedeps.awk makefile.include build/std
make -C build/std VERSION=std check
make[1]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
exit 0
make[1]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
make -C build/std VERSION=std cleandependencies -j1
make[1]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
rm -f .depend
make[1]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
make -C build/std VERSION=std all
make[1]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
rsync -ru ../../src/lib .
cp makefile.include lib
make -C lib -j1
make[2]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/lib'
make libdmy.a
make[3]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/lib'
fpp -f_com=no -free -w0 preclib.F preclib.f90
mpiifort -O1 -free -names lowercase -c -o preclib.o preclib.f90
icc -O -c -o timing_.o timing_.c
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icc -O -c -o derrf_.o derrf_.c
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icc -O -c -o dclock_.o dclock_.c
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
fpp -f_com=no -free -w0 diolib.F diolib.f90
mpiifort -O1 -free -names lowercase -c -o diolib.o diolib.f90
fpp -f_com=no -free -w0 dlexlib.F dlexlib.f90
mpiifort -O1 -free -names lowercase -c -o dlexlib.o dlexlib.f90
fpp -f_com=no -free -w0 drdatab.F drdatab.f90
mpiifort -O1 -free -names lowercase -c -o drdatab.o drdatab.f90
mpiifort -O1 -c linpack_double.f
rm -f libdmy.a
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o linpack_double.o
ar: creating libdmy.a
a - preclib.o
a - timing_.o
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
a - linpack_double.o
make[3]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/lib'
make[2]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/lib'
rsync -ru ../../src/parser .
cp makefile.include parser
make -C parser -j1
make[2]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/parser'
make libparser.a
make[3]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/parser'
icpc -D YY_parse_DEBUG=1 -c sites.cpp -o sites.o
icpc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icpc -D YY_parse_DEBUG=1 -c functions.cpp -o functions.o
icpc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icpc -D YY_parse_DEBUG=1 -c radial.cpp -o radial.o
icpc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icpc -D YY_parse_DEBUG=1 -c basis.cpp -o basis.o
icpc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icpc -D YY_parse_DEBUG=1 -c lex.yy.c -o lex.yy.o
icpc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icpc -D YY_parse_DEBUG=1 -c locproj.tab.c -o locproj.tab.o
icpc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
icpc -D YY_parse_DEBUG=1 -c yywrap.c -o yywrap.o
icpc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and will be removed from product release in the second half of 2023. The Intel(R) oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward. Please transition to use this compiler. Use '-diag-disable=10441' to disable this message.
rm -f libparser.a
ar vq libparser.a sites.o functions.o radial.o basis.o lex.yy.o locproj.tab.o yywrap.o locproj.tab.h
ar: creating libparser.a
a - sites.o
a - functions.o
a - radial.o
a - basis.o
a - lex.yy.o
a - locproj.tab.o
a - yywrap.o
a - locproj.tab.h
make[3]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/parser'
make[2]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std/parser'
rsync -u ../../src/*.F ../../src/*.inc .
make build_info
make[2]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
printf " character(len=*), parameter :: cpp_options = '&\n&-DHOST=\"LinuxIFC\" &\n&-DMPI &\n&-DMPI_BLOCK=8000 &\n&-Duse_collective &\n&-DscaLAPACK &\n&-DCACHE_SIZE=4000 &\n&-Davoidalloc &\n&-Dvasp6 &\n&-Duse_bse_te &\n&-Dtbdyn &\n&-Dfock_dblbuf &\n&-DVASP_HDF5 &\n&-DVASP2WANNIER90v2'\n" > build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpiifort &\n&-qmkl=sequential &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/home/ramesh/intel/oneapi/mkl/2022.2.1/lib/intel64 &\n&-lmkl_scalapack_lp64 &\n&-lmkl_blacs_intelmpi_lp64 &\n&-L/usr/local/hdf5/lib &\n&-lhdf5_fortran &\n&/home/ramesh/wannier90-3.1.0/libwannier.a'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpiifort'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpiifort &\n&-qmkl=sequential'\n" >> build_info.inc
printf " character(len=*), parameter :: fflags = '&\n&-assume &\n&byterecl &\n&-w &\n&-xHOST'\n" >> build_info.inc
printf " character(len=*), parameter :: llibs = '&\n&-lstdc++ &\n&-L/home/ramesh/intel/oneapi/mkl/2022.2.1/lib/intel64 &\n&-lmkl_scalapack_lp64 &\n&-lmkl_blacs_intelmpi_lp64 &\n&-L/usr/local/hdf5/lib &\n&-lhdf5_fortran &\n&/home/ramesh/wannier90-3.1.0/libwannier.a'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw &\n&-I/usr/local/hdf5/include'\n" >> build_info.inc
make[2]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_std
make[2]: Entering directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
fpp -f_com=no -free -w0 c2f_interface.F c2f_interface.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c c2f_interface.f90
fpp -f_com=no -free -w0 nccl2for.F nccl2for.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c nccl2for.f90
fpp -f_com=no -free -w0 simd.F simd.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c simd.f90
fpp -f_com=no -free -w0 base.F base.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c base.f90
fpp -f_com=no -free -w0 profiling.F profiling.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c profiling.f90
fpp -f_com=no -free -w0 string.F string.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c string.f90
fpp -f_com=no -free -w0 tutor.F tutor.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c tutor.f90
fpp -f_com=no -free -w0 version.F version.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c version.f90
fpp -f_com=no -free -w0 build_info.F build_info.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c build_info.f90
fpp -f_com=no -free -w0 command_line.F command_line.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c command_line.f90
fpp -f_com=no -free -w0 vhdf5_base.F vhdf5_base.f90 -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DVASP_HDF5 -DVASP2WANNIER90v2 -DNGZhalf
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c vhdf5_base.f90
vhdf5_base.F(7): error #7013: This module file was not generated by any release of this compiler. [HDF5]
use hdf5
------^
vhdf5_base.F(37): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5intermediategroup_id
----------^
vhdf5_base.F(38): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5infileid
----------^
vhdf5_base.F(39): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outfileid
----------^
vhdf5_base.F(40): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5wavefileid
----------^
vhdf5_base.F(41): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5ininputgroup_id
----------^
vhdf5_base.F(42): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outinputgroup_id
----------^
vhdf5_base.F(43): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T):: ih5outoriginalgroup_id
----------^
vhdf5_base.F(58): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T) :: create_inter_prop
----------^
vhdf5_base.F(169): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(175): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T) :: dspace, dset
------------^
vhdf5_base.F(176): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: maxdims(rank)
------------^
vhdf5_base.F(177): error #6683: A kind type parameter must be a compile-time constant. [HSIZE_T]
integer(HSIZE_T) :: my_dims(rank)
------------^
vhdf5_base.F(225): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(239): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(253): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(268): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(284): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(295): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: fileid
------------^
vhdf5_base.F(337): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: fileid
------------^
vhdf5_base.F(365): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(367): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(378): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(391): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(393): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(408): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(410): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(out) :: groupid
------------^
vhdf5_base.F(431): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.F(447): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: locid
------------^
vhdf5_base.F(472): error #6683: A kind type parameter must be a compile-time constant. [HID_T]
integer(HID_T), intent(in) :: groupid
------------^
vhdf5_base.f90(2831): catastrophic error: Too many errors, exiting
compilation aborted for vhdf5_base.f90 (code 1)
makefile:167: recipe for target 'vhdf5_base.o' failed
make[2]: *** [vhdf5_base.o] Error 1
make[2]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
cp: cannot stat 'vasp': No such file or directory
makefile:129: recipe for target 'all' failed
make[1]: *** [all] Error 1
make[1]: Leaving directory '/home/ramesh/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0/build/std'
makefile:13: recipe for target 'std' failed
make: *** [std] Error 2
(base) ramesh@ramesh-OptiPlex-9020:~/VASP 6.4/vasp.6.4.0_0/vasp.6.4.0$

Please guide me for sucessful installation. Where Iam doing mistake?

mukhtiyar_singh wrote: ↑Wed May 31, 2023 8:56 ammpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/home/ramesh/intel/oneapi/mkl/2022.2.1/include/fftw -I/usr/local/hdf5/include -c vhdf5_base.f90
vhdf5_base.F(7): error #7013: This module file was not generated by any release of this compiler. [HDF5]
use hdf5

This is the first error and root of the issue. Somehow you changed the Fortran compiler that you used for HDF5 and the one you used for VASP. Did you reload any modules between installing VASP and HDF5? You may also need to specify the compilers when building the HDF5 library if you have multiple possible compilers, e.g., like this

No, I didn't reload any modules. My system have intel oneapi compiler. Let me try to reinstall HDF5 with these complier export commands. thanks for responding

Hii.
I tried these steps and reinstall hdf5 with the following steps but I encountered an error with sudo make install step
$export CC=icc
$export CXX=icpc
$export FC=ifort
$./configure --prefix=/usr/local/hdf5 --enable-fortran --enable-cxx CC=icc FC=ifort CXX=icpc

SUMMARY OF THE HDF5 CONFIGURATION
=================================

General Information:
-------------------
HDF5 Version: 1.14.1-2
Configured on: Fri Jun 2 20:52:01 IST 2023
Configured by: ramesh@ramesh-HP-Laptop-15q-ds0xxx
Host system: x86_64-pc-linux-gnu
Uname information: Linux ramesh-HP-Laptop-15q-ds0xxx 5.4.0-149-generic #166~18.04.1-Ubuntu SMP Fri Apr 21 16:42:44 UTC 2023 x86_64 x86_64 x86_64 GNU/Linux
Byte sex: little-endian
Installation point: /usr/local/hdf5

Compiling Options:
------------------
Build Mode: production
Debugging Symbols: no
Asserts: no
Profiling: no
Optimization Level: high

Linking Options:
----------------
Libraries: static, shared
Statically Linked Executables:
LDFLAGS:
H5_LDFLAGS:
AM_LDFLAGS:
Extra libraries: -lz -ldl -lm
Archiver: ar
AR_FLAGS: cr
Ranlib: ranlib

Languages:
----------
C: yes
C Compiler: /home/ramesh/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icc ( Intel(R) C Intel(R) 64 Compiler Version 2021.6.0 Build 20220226_000000)
CPPFLAGS:
H5_CPPFLAGS: -D_GNU_SOURCE -D_POSIX_C_SOURCE=200809L -DNDEBUG -UH5_DEBUG_API -I/home/ramesh/hdf5-1.14.1-2/src/H5FDsubfiling
AM_CPPFLAGS:
C Flags:
H5 C Flags: -std=c99 -Wall -Wcomment -Wdeprecated -Wextra-tokens -Wformat -Wformat-security -Wmain -Wmissing-declarations -Wmissing-prototypes -Wp64 -Wpointer-arith -Wreturn-type -Wshadow -Wstrict-prototypes -Wtrigraphs -Wuninitialized -Wunknown-pragmas -Wunused-function -Wunused-variable -Wwrite-strings -Wic-pointer -Wsign-compare -Wl,-s -O3
AM C Flags:
Shared C Library: yes
Static C Library: yes


Fortran: yes
Fortran Compiler: /home/ramesh/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/ifort ( Intel(R) Fortran Intel(R) 64 Compiler Version 2021.6.0 Build 20220226_000000)
Fortran Flags:
H5 Fortran Flags: -free -warn all -O3
AM Fortran Flags:
Shared Fortran Library: yes
Static Fortran Library: yes
Module Directory: ${includedir}

C++: yes
C++ Compiler: /home/ramesh/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icpc ( Intel(R) C++ Intel(R) 64 Compiler Version 2021.6.0 Build 20220226_000000)
C++ Flags:
H5 C++ Flags: -std=c++11 -Wall -Wcomment -Wdeprecated -Wextra-tokens -Wformat -Wformat-security -Wmain -Wmissing-declarations -Wmissing-prototypes -Wp64 -Wpointer-arith -Wreturn-type -Wshadow -Wstrict-prototypes -Wtrigraphs -Wuninitialized -Wunknown-pragmas -Wunused-function -Wunused-variable -Wwrite-strings -Wic-pointer -Wsign-compare -Wl,-s -O3
AM C++ Flags:
Shared C++ Library: yes
Static C++ Library: yes

Java: no


Features:
---------
Parallel HDF5: no
Parallel Filtered Dataset Writes: no
Large Parallel I/O: no
High-level library: yes
Dimension scales w/ new references: no
Build HDF5 Tests: yes
Build HDF5 Tools: yes
Build GIF Tools: no
Threadsafety: no
Default API mapping: v114
With deprecated public symbols: yes
I/O filters (external): deflate(zlib)
Map (H5M) API: no
Direct VFD: no
Mirror VFD: no
Subfiling VFD: no
(Read-Only) S3 VFD: no
(Read-Only) HDFS VFD: no
Packages w/ extra debug output: none
API tracing: no
Using memory checker: no
Function stack tracing: no
Use file locking: best-effort
Strict file format checks: no
Optimization instrumentation: no


$make
$make check
$sudo make install
here i encounter an error as follow:
(base) ramesh@ramesh-HP-Laptop-15q-ds0xxx:~/hdf5-1.14.1-2$ sudo make install
[sudo] password for ramesh:
Making install in src
make[1]: Entering directory '/home/ramesh/hdf5-1.14.1-2/src'
make[2]: Entering directory '/home/ramesh/hdf5-1.14.1-2/src'
/bin/mkdir -p '/usr/local/hdf5/lib'
/bin/bash ../libtool --mode=install /usr/bin/install -c libhdf5.la '/usr/local/hdf5/lib'
libtool: install: /usr/bin/install -c .libs/libhdf5.so.310.1.0 /usr/local/hdf5/lib/libhdf5.so.310.1.0
libtool: install: (cd /usr/local/hdf5/lib && { ln -s -f libhdf5.so.310.1.0 libhdf5.so.310 || { rm -f libhdf5.so.310 && ln -s libhdf5.so.310.1.0 libhdf5.so.310; }; })
libtool: install: (cd /usr/local/hdf5/lib && { ln -s -f libhdf5.so.310.1.0 libhdf5.so || { rm -f libhdf5.so && ln -s libhdf5.so.310.1.0 libhdf5.so; }; })
libtool: install: /usr/bin/install -c .libs/libhdf5.lai /usr/local/hdf5/lib/libhdf5.la
libtool: install: /usr/bin/install -c .libs/libhdf5.a /usr/local/hdf5/lib/libhdf5.a
libtool: install: chmod 644 /usr/local/hdf5/lib/libhdf5.a
libtool: install: ranlib /usr/local/hdf5/lib/libhdf5.a
libtool: finish: PATH="/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/snap/bin:/sbin" ldconfig -n /usr/local/hdf5/lib
----------------------------------------------------------------------
Libraries have been installed in:
/usr/local/hdf5/lib
----------------------------------------------------------------------
/bin/mkdir -p '/usr/local/hdf5/bin'
/bin/bash ../../../libtool --mode=install /usr/bin/install -c h5repack '/usr/local/hdf5/bin'
libtool: install: /usr/bin/install -c .libs/h5repack /usr/local/hdf5/bin/h5repack
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5repack'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5repack'
Making install in h5jam
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5jam'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5jam'
/bin/mkdir -p '/usr/local/hdf5/bin'
/bin/bash ../../../libtool --mode=install /usr/bin/install -c h5jam h5unjam '/usr/local/hdf5/bin'
libtool: install: /usr/bin/install -c .libs/h5jam /usr/local/hdf5/bin/h5jam
libtool: install: /usr/bin/install -c .libs/h5unjam /usr/local/hdf5/bin/h5unjam
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5jam'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5jam'
Making install in h5copy
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5copy'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5copy'
/bin/mkdir -p '/usr/local/hdf5/bin'
/bin/bash ../../../libtool --mode=install /usr/bin/install -c h5copy '/usr/local/hdf5/bin'
libtool: install: /usr/bin/install -c .libs/h5copy /usr/local/hdf5/bin/h5copy
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5copy'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5copy'
Making install in h5format_convert
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5format_convert'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5format_convert'
/bin/mkdir -p '/usr/local/hdf5/bin'
/bin/bash ../../../libtool --mode=install /usr/bin/install -c h5format_convert '/usr/local/hdf5/bin'
libtool: install: /usr/bin/install -c .libs/h5format_convert /usr/local/hdf5/bin/h5format_convert
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5format_convert'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5format_convert'
Making install in h5stat
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5stat'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5stat'
/bin/mkdir -p '/usr/local/hdf5/bin'
/bin/bash ../../../libtool --mode=install /usr/bin/install -c h5stat '/usr/local/hdf5/bin'
libtool: install: /usr/bin/install -c .libs/h5stat /usr/local/hdf5/bin/h5stat
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5stat'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5stat'
Making install in h5perf
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5perf'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5perf'
/bin/mkdir -p '/usr/local/hdf5/bin'
/bin/bash ../../../libtool --mode=install /usr/bin/install -c h5perf_serial '/usr/local/hdf5/bin'
libtool: install: /usr/bin/install -c .libs/h5perf_serial /usr/local/hdf5/bin/h5perf_serial
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5perf'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src/h5perf'
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/src'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src'
make[2]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/src'
Making install in test
make[2]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test'
Making install in h5diff
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5diff'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5diff'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5diff'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5diff'
Making install in h5ls
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5ls'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5ls'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5ls'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5ls'
Making install in h5dump
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5dump'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5dump'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5dump'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5dump'
Making install in misc
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc'
Making install in vds
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc/vds'
make[5]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc/vds'
make[5]: Nothing to be done for 'install-exec-am'.
make[5]: Nothing to be done for 'install-data-am'.
make[5]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc/vds'
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc/vds'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc'
make[5]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc'
make[5]: Nothing to be done for 'install-exec-am'.
make[5]: Nothing to be done for 'install-data-am'.
make[5]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc'
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/misc'
Making install in h5import
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5import'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5import'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5import'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5import'
Making install in h5repack
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5repack'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5repack'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5repack'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5repack'
Making install in h5jam
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5jam'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5jam'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5jam'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5jam'
Making install in h5copy
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5copy'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5copy'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5copy'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/tools/test/h5copy'
Making install in h5format_convert

Making install in tools
make[2]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils/tools'
Making install in test
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils/tools/test'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils/tools/test'
make[5]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils/tools/test'
make[5]: Nothing to be done for 'install-exec-am'.
make[5]: Nothing to be done for 'install-data-am'.
make[5]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils/tools/test'
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils/tools/test'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils/tools/test'
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils/tools'
make[4]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils/tools'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils/tools'
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils/tools'
make[2]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils/tools'
make[2]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils'
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/utils'
make[3]: Nothing to be done for 'install-exec-am'.
make[3]: Nothing to be done for 'install-data-am'.
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils'
make[2]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils'
make[1]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/utils'
Making install in .
make[1]: Entering directory '/home/ramesh/hdf5-1.14.1-2'
make[2]: Entering directory '/home/ramesh/hdf5-1.14.1-2'
make[2]: Nothing to be done for 'install-exec-am'.
make[2]: Nothing to be done for 'install-data-am'.
make[2]: Leaving directory '/home/ramesh/hdf5-1.14.1-2'
make[1]: Leaving directory '/home/ramesh/hdf5-1.14.1-2'
Making install in c++
make[1]: Entering directory '/home/ramesh/hdf5-1.14.1-2/c++'
Making install in src
make[2]: Entering directory '/home/ramesh/hdf5-1.14.1-2/c++/src'
make[3]: Entering directory '/home/ramesh/hdf5-1.14.1-2/c++/src'
/bin/mkdir -p '/usr/local/hdf5/bin'
/usr/bin/install -c h5c++ '/usr/local/hdf5/bin'
/bin/mkdir -p '/usr/local/hdf5/lib'
/bin/bash ../../libtool --mode=install /usr/bin/install -c libhdf5_cpp.la '/usr/local/hdf5/lib'
libtool: warning: relinking 'libhdf5_cpp.la'
libtool: install: (cd /home/ramesh/hdf5-1.14.1-2/c++/src; /bin/bash "/home/ramesh/hdf5-1.14.1-2/libtool" --silent --tag CXX --mode=relink icpc -std=c++11 -Wall -Wcomment -Wdeprecated -Wextra-tokens -Wformat -Wformat-security -Wmain -Wmissing-declarations -Wmissing-prototypes -Wp64 -Wpointer-arith -Wreturn-type -Wshadow -Wstrict-prototypes -Wtrigraphs -Wuninitialized -Wunknown-pragmas -Wunused-function -Wunused-variable -Wwrite-strings -Wic-pointer -Wsign-compare -Wl,-s -O3 -version-info 310:1:0 -o libhdf5_cpp.la -rpath /usr/local/hdf5/lib H5Exception.lo H5IdComponent.lo H5DataSpace.lo H5PropList.lo H5Library.lo H5FaccProp.lo H5FcreatProp.lo H5LcreatProp.lo H5LaccProp.lo H5DaccProp.lo H5DxferProp.lo H5DcreatProp.lo H5Location.lo H5AbstractDs.lo H5Attribute.lo H5Object.lo H5OcreatProp.lo H5DataType.lo H5AtomType.lo H5PredType.lo H5EnumType.lo H5IntType.lo H5FloatType.lo H5StrType.lo H5ArrayType.lo H5VarLenType.lo H5CompType.lo H5DataSet.lo H5CommonFG.lo H5Group.lo H5File.lo ../../src/libhdf5.la -lz -ldl -lm )
/home/ramesh/hdf5-1.14.1-2/libtool: line 10545: icpc: command not found
libtool: error: error: relink 'libhdf5_cpp.la' with the above command before installing it
Makefile:979: recipe for target 'install-libLTLIBRARIES' failed
make[3]: *** [install-libLTLIBRARIES] Error 1
make[3]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/c++/src'
Makefile:1390: recipe for target 'install-am' failed
make[2]: *** [install-am] Error 2
make[2]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/c++/src'
Makefile:891: recipe for target 'install-recursive' failed
make[1]: *** [install-recursive] Error 1
make[1]: Leaving directory '/home/ramesh/hdf5-1.14.1-2/c++'
Makefile:729: recipe for target 'install-recursive' failed
make: *** [install-recursive] Error 1

I had a similar issue once and I do not know if they are related. When I install the hdf5 library, I run I remember there was some issue that the installation process spawned another subprocess that then did not have the compilers available.

This process also end up with same vasp error. Yes this will sucessfully insall hdf5 but when i saw configure results, it will not consider icpc ,ifort compilers.

Can you try to compile a simple HDF5 example? You can find a list here. The write integer dataset one looks reasonably simple. Please use mpiifort or whichever compiler you intend to use to compile VASP. If you manage to compile it, this may give you some hint as to how to set the HDF5_ROOT path. I would be puzzled if this simple example does not show the same issue as VASP.

How I can run example because with ifort,icpc and icc , the installation process showing this error. With out complete installation, I am not able to use hdf5. But yes, I had tried most simple way i.e. ./configure . without any compiler specification in it and it installed properly and also working. But at that point VASP is not accepting it and shows error related to icpc as i had mentioned before.

There are three possible issues and I'm trying to figure out which one it is

1. You cannot install HDF5 because your configuration is incomplete.
2. You cannot use the installed HDF5 library because the linking is incorrect.
3. You use inconsistent compilers for HDF5 and VASP.

It sounds to me that if you use a bare configure, you end up in scenario 3. Then you tried to explicitly set the compilers to Intel and now I am not sure if you managed to install the HDF5 library with that or not. On the one hand, it seems like it did not use the Intel compilers

mukhtiyar_singh wrote: ↑Wed Jun 07, 2023 4:28 pm Yes this will sucessfully insall hdf5 but when i saw configure results, it will not consider icpc ,ifort compilers.

and then you should not use the Intel compilers to install VASP (scenario 3). On the other hand, your output states that the Intel compiler is used

mukhtiyar_singh wrote: ↑Fri Jun 02, 2023 5:35 pm C Compiler: /home/ramesh/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icc ( Intel(R) C Intel(R) 64 Compiler Version 2021.6.0 Build 20220226_000000)

which would correspond to scenario 1 or 2. Could you clarify that?

For the record, here is the complete script I use to install the HDF5 library with Intel including the optimization flags. You may also consult the installation on a personal computer for other setups that have been tested.

I had sucessfully did it. Thanks to all