icc: command not found.

[Abdelghany]

Dear OneAPI developers,

In trying to solve this issue, I reinstalled intel-hpckit. Now I am trying to use it to compile the BerkeleyGW code. I used the following config file:

COMPFLAG  = -DINTEL
PARAFLAG  = -DMPI -DOMP
MATHFLAG  = -DUSESCALAPACK -DUNPACKED -DUSEFFTW3 -DHDF5 -DUSEMR3 # -DUSEPRIMME
# Only uncomment DEBUGFLAG if you need to develop/debug BerkeleyGW.
# The output will be much more verbose, and the code will slow down by ~20%.
#DEBUGFLAG = -DDEBUG

#########################################################################
#   NOTE: This arch.mk is used by the testsuite. The compiler flags are #
#   optimized to debug the code and not for code performance.           #
#########################################################################
FCPP    = /usr/bin/cpp -C  -nostdinc #  -ansi

# Intel oneAPI Compiler Options
F90free = mpiifort -free -O3 -qopenmp -g -traceback
LINK    = mpiifort -free -O3 -qopenmp -g -traceback
FOPTS   = -O3
FNOOPTS = $(FOPTS)
MOD_OPT = -module ./
INCFLAG = -I

# Intel oneAPI C Compiler Options
CC_COMP  = mpiicpc -qopenmp
C_COMP   = mpiicc  -qopenmp
C_LINK   = mpiicc  -qopenmp
C_OPTS   = -O3
C_DEBUGFLAG =

REMOVE  = /bin/rm -f

# Math Libraries
MKLROOT = /opt/intel/oneapi/mkl/latest
FFTWLIB      = $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group  $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a \
               $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a \
               -Wl,--end-group -lpthread -lm
FFTWINCLUDE  = $(MKLROOT)/include/fftw/

LAPACKLIB = $(FFTWLIB)

# HDF5 Library Options
HDF5_LDIR    = /usr/lib64
HDF5LIB      = $(HDF5_LDIR)/libhdf5hl_fortran.a \
                $(HDF5_LDIR)/libhdf5_hl.a \
                $(HDF5_LDIR)/libhdf5_fortran.a \
                $(HDF5_LDIR)/libhdf5.a -lz -ldl
HDF5INCLUDE  = /usr/include

TESTSCRIPT =

But I got the following Error:

make[4]: Entering directory '/rhome/Ragab/source_codes/BerkeleyGW-3.0.1'
/usr/bin/cpp -C  -nostdinc  -I./Common  -DINTEL -DMPI -DOMP -DUSESCALAPACK -DUNPACKED -DUSEFFTW3 -DHDF5 -DUSEMR3   Common/nrtype.f90 > Common/nrtype.p.f
mpiicc  -qopenmp -I./Common  -DINTEL   -c -O3 Common/os_c.c -o Common/os_c.o
/usr/bin/cpp -C  -nostdinc  -I./Common  -DINTEL -DMPI -DOMP -DUSESCALAPACK -DUNPACKED -DUSEFFTW3 -DHDF5 -DUSEMR3   Common/scalapack_aux.f90 > Common/scalapack_aux.p.f
/usr/bin/cpp -C  -nostdinc  -I./Common  -DINTEL -DMPI -DOMP -DUSESCALAPACK -DUNPACKED -DUSEFFTW3 -DHDF5 -DUSEMR3   Common/blas.f90 > Common/blas.p.f
/usr/bin/cpp -C  -nostdinc  -I./Common  -DINTEL -DMPI -DOMP -DUSESCALAPACK -DUNPACKED -DUSEFFTW3 -DHDF5 -DUSEMR3   Common/lapack.f90 > Common/lapack.p.f
/opt/intel/oneapi/mpi/latest/bin/mpiicx: line 552: icc: command not found
mpiifort -free -O3 -qopenmp -g -traceback -I ./Common -I /opt/intel/oneapi/mkl/latest/include/fftw/ -I /usr/include -c -O3 Common/nrtype.p.f -o Common/nrtype.o -module ./Common/
make[4]: *** [Common/common-rules.mk:314: Common/os_c.o] Error 127
make[4]: *** Waiting for unfinished jobs....
mpiifort -free -O3 -qopenmp -g -traceback -I ./Common -I /opt/intel/oneapi/mkl/latest/include/fftw/ -I /usr/include -c -O3 Common/scalapack_aux.p.f -o Common/scalapack_aux.o -module ./Common/
mpiifort -free -O3 -qopenmp -g -traceback -I ./Common -I /opt/intel/oneapi/mkl/latest/include/fftw/ -I /usr/include -c -O3 Common/blas.p.f -o Common/blas.o -module ./Common/
mpiifort -free -O3 -qopenmp -g -traceback -I ./Common -I /opt/intel/oneapi/mkl/latest/include/fftw/ -I /usr/include -c -O3 Common/lapack.p.f -o Common/lapack.o -module ./Common/
make[4]: Leaving directory '/rhome/Ragab/source_codes/BerkeleyGW-3.0.1'
make[3]: *** [Makefile:8: pre] Error 2
make[3]: Leaving directory '/rhome/Ragab/source_codes/BerkeleyGW-3.0.1'
make[2]: *** [Makefile:115: all] Error 2
make[2]: Leaving directory '/rhome/Ragab/source_codes/BerkeleyGW-3.0.1'
make[1]: *** [Makefile:126: real] Error 2
make[1]: Leaving directory '/rhome/Ragab/source_codes/BerkeleyGW-3.0.1'
make: *** [Makefile:119: all-flavors] Error 2

Are there any suggestions to solve it?

Thank you in advance. 

Ragab.

[VeenaJ_Intel]

Hi,

Thanks for posting in Intel communities!

We endeavored to recreate the issue by carefully following the provided steps:

Ensured the latest MPI was sourced.

Duplicated the config/stampede.tacc.utexas.edu_threaded_hdf5.mk configuration file to create arch.mk.

Made necessary edits to arch.mk in accordance with your configuration.

Executed the command make all-flavors -j 16.

Regrettably, we encountered some issues during this process. I have attached the log file. If possible, could you please confirm whether the recreation steps are accurate?  If not, kindly provide us with the detailed recreation steps.

Your assistance in clarifying these details would be immensely helpful.

Regards,

Veena

[Abdelghany]

Hi Veena,

Thank you for your reply. Here are the steps I followed to compile BerkeleyGW-3.0.1 using Intel oneAPI Compiler:

1- Downloading and extracting the source code (BerkeleyGW-3.0.1.tar.gz)
2- Copy the appropriate *.mk file from the config directory to the working directory and rename it arch.mk.
3- Edit arch.mk to fit your needs (as shown above)
4- Copy the file flavor_cplx.mk to flavor.mk
5- Executed the command make all-flavors -j 16

After doing these steps I got the same error. Please find the attached log file.

Best Regards

Ragab

[TobiasK · Accepted solution]

@Abdelghany

please have a look at this announcement here:

https://community.intel.com/t5/Intel-HPC-Toolkit/REMOVAL-NOTICE-Intel-C-Compiler-Classic/td-p/1545799

ICC is no longer available. Instead you have to switch to ICX, our new, LLVM based C compiler. IFORT will also be removed at some point, as mentioned here:

https://community.intel.com/t5/Intel-HPC-Toolkit/DEPRECATION-NOTICE-Intel-Fortran-Compiler-Classic-ifort/td-p/1545785