Vasp6.4.0 build errors with oneapi 2021.7.1
Posted: Mon Jul 03, 2023 7:57 pm
Dear Sir/Madam,
We would like to build VASP 6.4.0 in our cluster with intel-oneapi-compilers-2021.7.1, intel-oneapi-mpi-2021.7.1. But we run into errors. Can you take a look? greatly appreciated.
1. download vasp.6.4.0.tar
2. set env to apply intel-omeapi-compilers etc
[baoju@l001 ~]$ module load intel/oneapi/mpi/2021.7.1
[baoju@l001 ~]$ which mpirun
/usr/public/intel/2022.3/mpi/2021.7.1/bin/mpirun
[baoju@l001 ~]$ module load intel/oneapi22.3
[baoju@l001 ~]$ which icc
/mmfs1/public/intel/2022.3/compiler/2022.2.1/linux/bin/intel64/icc
[baoju@l001 ~]$ module load hdf5/1.13.3oneapi22.3
[baoju@l001 ~]$ which h5dump
/usr/public/hdf5/1.13.3oneapi22.3/bin/h5dump
3. set makefile.include
cp arch/makefile.include.intel_ompi_mkl_omp ./makefile.include
4. compiler code
[baoju@l001 vasp_oneapi_intel_mpi_mkl_omp]$ make DEPS=1 -j36 std gam
if [ ! -d build/std ] ; then mkdir -p build/std ; fi
if [ ! -d build/gam ] ; then mkdir -p build/gam ; fi
cp src/makefile src/.objects src/makedeps.awk makefile.include build/std
cp src/makefile src/.objects src/makedeps.awk makefile.include build/gam
make -C build/std VERSION=std check
make -C build/gam VERSION=gam check
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
exit 0
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
exit 0
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make -C build/std VERSION=std dependencies -j1
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make -C build/gam VERSION=gam dependencies -j1
make[1]: warning: -jN forced in submake: disabling jobserver mode.
make[1]: warning: -jN forced in submake: disabling jobserver mode.
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
rsync -u ../../src/*.F ../../src/*.inc .
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
rsync -u ../../src/*.F ../../src/*.inc .
make build_info
make build_info
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
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&-D_OPENMP'\n" > build_info.inc
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/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&-D_OPENMP'\n" > build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\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 :: fflags = '&\n&-assume &\n&byterecl &\n&-w &\n&-xHOST'\n" >> build_info.inc
printf " character(len=*), parameter :: llibs = '&\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw'\n" >> build_info.inc
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make depend
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make depend
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
awk -f makedeps.awk c2f_interface.f90 nccl2for.f90 simd.f90 base.f90 profiling.f90 string.f90 tutor.f90 version.f90 build_info.f90 command_line.f90 vhdf5_base.f90 i0 wannier_mats.f90 elphon.f90 core_con_mat.f90 embed.f90 extpot.f90 rpa_high.f90 fftmpiw.f90 fftmpi_map.f90 fftw3d.f90 fft3dlib.f90 main.f90 > .depend
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make -C build/gam VERSION=gam all
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make -C build/std VERSION=std all
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
rsync -ru ../../src/lib .
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
rsync -ru ../../src/lib .
rsync -ru ../../src/parser .
rsync -ru ../../src/parser .
rsync -u ../../src/*.F ../../src/*.inc .
rsync -u ../../src/*.F ../../src/*.inc .
cp makefile.include parser
cp makefile.include parser
cp makefile.include lib
cp makefile.include lib
make build_info
make build_info
make -C parser -j1
make -C lib -j1
make -C parser -j1
make -C lib -j1
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/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&-D_OPENMP'\n" > build_info.inc
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make[2]: warning: -jN forced in submake: disabling jobserver mode.
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make[2]: warning: -jN forced in submake: disabling jobserver mode.
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
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&-D_OPENMP'\n" > build_info.inc
make libparser.a
make libdmy.a
make libdmy.a
make libparser.a
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/parser'
make[3]: 'libparser.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/parser'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/parser'
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/lib'
make[3]: 'libdmy.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/lib'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/lib'
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/lib'
make[3]: 'libdmy.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/lib'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/lib'
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\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/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/parser'
make[3]: 'libparser.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/parser'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/parser'
printf " character(len=*), parameter :: incs = '&\n&-I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\n" >> build_info.inc
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_gam
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/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw'\n" >> build_info.inc
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c c2f_interface.f90
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_std
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c nccl2for.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c simd.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c build_info.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5_base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c afqmc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_c2f_interface.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_prec.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_taglist.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5.f90
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c c2f_interface.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c nccl2for.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c simd.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c build_info.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5_base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c afqmc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_c2f_interface.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_prec.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_taglist.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5.f90
gfortran: error: lowercase: No such file or directory
gfortran: error: byterecl: No such file or directory
gfortran: error: unrecognized command line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command line option ‘-names’; did you mean ‘-maes’?
gfortran: error: unrecognized command line option ‘-assume’; did you mean ‘-msse’?
make[2]: *** [makefile:167: base.o] Error 1
make[2]: *** Waiting for unfinished jobs....
gfortran: error: lowercase: No such file or directory
gfortran: error: byterecl: No such file or directory
gfortran: error: unrecognized command line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command line option ‘-names’; did you mean ‘-maes’?
gfortran: error: unrecognized command line option ‘-assume’; did you mean ‘-msse’?
make[2]: *** [makefile:167: c2f_interface.o] Error 1
We would like to build VASP 6.4.0 in our cluster with intel-oneapi-compilers-2021.7.1, intel-oneapi-mpi-2021.7.1. But we run into errors. Can you take a look? greatly appreciated.
1. download vasp.6.4.0.tar
2. set env to apply intel-omeapi-compilers etc
[baoju@l001 ~]$ module load intel/oneapi/mpi/2021.7.1
[baoju@l001 ~]$ which mpirun
/usr/public/intel/2022.3/mpi/2021.7.1/bin/mpirun
[baoju@l001 ~]$ module load intel/oneapi22.3
[baoju@l001 ~]$ which icc
/mmfs1/public/intel/2022.3/compiler/2022.2.1/linux/bin/intel64/icc
[baoju@l001 ~]$ module load hdf5/1.13.3oneapi22.3
[baoju@l001 ~]$ which h5dump
/usr/public/hdf5/1.13.3oneapi22.3/bin/h5dump
3. set makefile.include
cp arch/makefile.include.intel_ompi_mkl_omp ./makefile.include
4. compiler code
[baoju@l001 vasp_oneapi_intel_mpi_mkl_omp]$ make DEPS=1 -j36 std gam
if [ ! -d build/std ] ; then mkdir -p build/std ; fi
if [ ! -d build/gam ] ; then mkdir -p build/gam ; fi
cp src/makefile src/.objects src/makedeps.awk makefile.include build/std
cp src/makefile src/.objects src/makedeps.awk makefile.include build/gam
make -C build/std VERSION=std check
make -C build/gam VERSION=gam check
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
exit 0
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
exit 0
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make -C build/std VERSION=std dependencies -j1
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make -C build/gam VERSION=gam dependencies -j1
make[1]: warning: -jN forced in submake: disabling jobserver mode.
make[1]: warning: -jN forced in submake: disabling jobserver mode.
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
rsync -u ../../src/*.F ../../src/*.inc .
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
rsync -u ../../src/*.F ../../src/*.inc .
make build_info
make build_info
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
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&-D_OPENMP'\n" > build_info.inc
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/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&-D_OPENMP'\n" > build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\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 :: fflags = '&\n&-assume &\n&byterecl &\n&-w &\n&-xHOST'\n" >> build_info.inc
printf " character(len=*), parameter :: llibs = '&\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw'\n" >> build_info.inc
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make depend
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make depend
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
awk -f makedeps.awk c2f_interface.f90 nccl2for.f90 simd.f90 base.f90 profiling.f90 string.f90 tutor.f90 version.f90 build_info.f90 command_line.f90 vhdf5_base.f90 i0 wannier_mats.f90 elphon.f90 core_con_mat.f90 embed.f90 extpot.f90 rpa_high.f90 fftmpiw.f90 fftmpi_map.f90 fftw3d.f90 fft3dlib.f90 main.f90 > .depend
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make -C build/gam VERSION=gam all
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make[1]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make -C build/std VERSION=std all
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
rsync -ru ../../src/lib .
make[1]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
rsync -ru ../../src/lib .
rsync -ru ../../src/parser .
rsync -ru ../../src/parser .
rsync -u ../../src/*.F ../../src/*.inc .
rsync -u ../../src/*.F ../../src/*.inc .
cp makefile.include parser
cp makefile.include parser
cp makefile.include lib
cp makefile.include lib
make build_info
make build_info
make -C parser -j1
make -C lib -j1
make -C parser -j1
make -C lib -j1
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/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&-D_OPENMP'\n" > build_info.inc
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
make[2]: warning: -jN forced in submake: disabling jobserver mode.
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
make[2]: warning: -jN forced in submake: disabling jobserver mode.
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
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&-D_OPENMP'\n" > build_info.inc
make libparser.a
make libdmy.a
make libdmy.a
make libparser.a
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-qmkl &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/parser'
make[3]: 'libparser.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/parser'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/parser'
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/lib'
make[3]: 'libdmy.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/lib'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/lib'
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/lib'
make[3]: 'libdmy.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/lib'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam/lib'
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\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/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
make[3]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/parser'
make[3]: 'libparser.a' is up to date.
make[3]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/parser'
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std/parser'
printf " character(len=*), parameter :: incs = '&\n&-I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-qopenmp'\n" >> build_info.inc
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-qmkl'\n" >> build_info.inc
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_gam
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/path/to/your/scalapack/installation/lib &\n&-lscalapack'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw'\n" >> build_info.inc
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/gam'
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c c2f_interface.f90
make[2]: Leaving directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_std
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c nccl2for.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c simd.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c build_info.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5_base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c afqmc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_c2f_interface.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_prec.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_taglist.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5.f90
make[2]: Entering directory '/mmfs1/data/baoju/Softwares/VASP/vasp.6.4.0.CINEB/vasp.6.4.0_noCINEB_HDF/Wei/vasp_oneapi_intel_mpi_mkl_omp/build/std'
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c c2f_interface.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c nccl2for.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c simd.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c build_info.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5_base.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c afqmc_struct.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_c2f_interface.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_prec.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_taglist.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c ml_ff_mpi_shmem.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c openacc.f90
mpif90 -qopenmp -free -names lowercase -assume byterecl -w -xHOST -O2 -I/usr/public/intel/2020/compilers_and_libraries/linux/mkl/include/fftw -c vhdf5.f90
gfortran: error: lowercase: No such file or directory
gfortran: error: byterecl: No such file or directory
gfortran: error: unrecognized command line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command line option ‘-names’; did you mean ‘-maes’?
gfortran: error: unrecognized command line option ‘-assume’; did you mean ‘-msse’?
make[2]: *** [makefile:167: base.o] Error 1
make[2]: *** Waiting for unfinished jobs....
gfortran: error: lowercase: No such file or directory
gfortran: error: byterecl: No such file or directory
gfortran: error: unrecognized command line option ‘-qopenmp’; did you mean ‘-fopenmp’?
gfortran: error: unrecognized command line option ‘-names’; did you mean ‘-maes’?
gfortran: error: unrecognized command line option ‘-assume’; did you mean ‘-msse’?
make[2]: *** [makefile:167: c2f_interface.o] Error 1