/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 655: ifx: command not found

[Abdelghany]

I have recently installed oneAPI intel-basekit on Rocky Linux release 8.8. Then, I used the following configuration file to compile the GPU version of BerkeleyGW (BerkeleyGW 4.0 

#
# module use /soft/modulefiles
# module load oneapi/release/2023.12.15.001



COMPFLAG  = -DINTEL -DINTEL_GPU -DONE_API
PARAFLAG  = -DMPI -DOMP
MATHFLAG  = -DUNPACKED -DUSEFFTW3  -DUSESCALAPACK  -DHDF5  -DOMP_TARGET  -DUSEPRIMME
# DEBUGFLAG = -DDEBUG

# General options

LINK      = mpif90 -fc=ifx 
REMOVE    = /bin/rm -f

# Fortran options

FCPP    = cpp -C -nostdinc -fopenmp 
F90free = mpif90 -fc=ifx -free
# -O0 and -O1 pass all tests (oneapi/release/2023.12.15.001 on Aurora Jan 2024)
# FOPTS   =  -O0 -g -traceback -check shape -fp-model precise -no-ipo -align array64byte -fiopenmp -fopenmp-targets=spir64 -qmkl=sequential -lmkl_sycl -lsycl -lOpenCL
FOPTS   =  -O2 -g -traceback -check shape -fp-model precise -no-ipo -align array64byte -fiopenmp -fopenmp-targets=spir64 -qmkl=sequential -lmkl_sycl -lsycl -lOpenCL
FNOOPTS = $(FOPTS)
MOD_OPT = -module 
INCFLAG = -I

# C/C++ options

C_PARAFLAG = -DPARA
CC_COMP = mpicc #-cc=icx
C_COMP  = mpicc #-cc=icx
C_LINK  = mpicxx #-cxx=icpx
C_FOPTS = -O2 -g -traceback -check shape fp-model-precise -no-ipo -align -fiopenmp -fopenmp-targets=spir64 -lOpenCL
# Math Libraries

FFTWPATH     =
FFTWINCLUDE  = $(MKLROOT)/include/fftw/
# FFTWLIB = -qmkl=sequential --no-as-needed -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl
FFTWLIB = -qmkl=sequential -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl

LAPACKLIB = $(FFTWLIB)
# SCALAPACKLIB = -qmkl=sequential --no-as-needed -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl
SCALAPACKLIB = -qmkl=sequential -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl

 
HDF5_LDIR    = /usr/local/HDF5_intel/lib
HDF5LIB      = $(HDF5_LDIR)/libhdf5hl_fortran.a \
                $(HDF5_LDIR)/libhdf5_hl.a \
                $(HDF5_LDIR)/libhdf5_fortran.a \
                $(HDF5_LDIR)/libhdf5.a -lz -ldl
HDF5INCLUDE  = /usr/local/HDF5_intel/include

PRIMMELIB = /usr/local/PRIMME/lib/libprimme.a
PRIMMEINC = /usr/local/PRIMME/include/

But I got the following Errors: 

mpif90 -fc=ifx -free -I ./Common -I /opt/intel/oneapi/mkl/2024.2/include/fftw/ -I /usr/local/HDF5_intel/include -c -O2 -g -traceback -check shape -fp-model precise -no-ipo -align array64byte -fiopenmp -fopenmp-targets=spir64 -qmkl=sequential -lmkl_sycl -lsycl -lOpenCL Common/lapack.p.f -o Common/lapack.o -module Common/
cpp -C -nostdinc -fopenmp  -I./Common -DCPLX -DINTEL -DINTEL_GPU -DONE_API -DMPI -DOMP -DUNPACKED -DUSEFFTW3  -DUSESCALAPACK  -DHDF5  -DOMP_TARGET  -DUSEPRIMME  Common/essl.f90 > Common/essl.p.f
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 655: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 655: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 655: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 655: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 896: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 896: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 896: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 896: ifx: command not found
make[2]: *** [Common/common-rules.mk:281: Common/nrtype_m.mod] Error 127
make[2]: *** Waiting for unfinished jobs....
make[2]: *** [Common/common-rules.mk:281: Common/scalapack_aux_m.mod] Error 127
make[2]: *** [Common/common-rules.mk:281: Common/blas_m.mod] Error 127
make[2]: *** [Common/common-rules.mk:281: Common/lapack_m.mod] Error 127
mpif90 -fc=ifx -free -I ./Common -I /opt/intel/oneapi/mkl/2024.2/include/fftw/ -I /usr/local/HDF5_intel/include -c -O2 -g -traceback -check shape -fp-model precise -no-ipo -align array64byte -fiopenmp -fopenmp-targets=spir64 -qmkl=sequential -lmkl_sycl -lsycl -lOpenCL Common/essl.p.f -o Common/essl.o -module Common/
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 655: ifx: command not found
/opt/intel/oneapi/mpi/2021.13/bin/mpif90: line 896: ifx: command not found
make[2]: *** [Common/common-rules.mk:282: Common/essl.o] Error 127
make[2]: Leaving directory '/rhome/Ragab/source_codes/BerkeleyGW-4.0'
make[1]: *** [Makefile:8: pre] Error 2
make[1]: Leaving directory '/rhome/Ragab/source_codes/BerkeleyGW-4.0'
make: *** [Makefile:115: all] Error 2

Could anyone please guide me how to solve this problem?

Best 

Ragab

[TobiasK · Accepted solution]

The basekit does not contain the Intel MPI library nor the Fortran compiler. Please install the HPC kit:
https://www.intel.com/content/www/us/en/developer/tools/oneapi/hpc-toolkit.html