[CP2K-user] Compilation problems: mpiifort not found, even though is perfectly installed

Diego Guedes-Sobrinho guedes.... at gmail.com
Sun Nov 29 02:18:05 UTC 2020


*Hi everyone, I'm trying a compilation with intel compilers with the 
following archtecture:*

------------------------------
CC        = mpiicc
FC        = mpiifort
LD        = mpiifort
AR        = ar -r

CFLAGS    = -O3 -xAVX -g -traceback -xHost

DFLAGS    = -D__FFTW3 -D__MKL -D__MPI_VERSION=3
DFLAGS   += -D__parallel -D__SCALAPACK

FCFLAGS   = $(CFLAGS) $(DFLAGS)
FCFLAGS  += -fpp -fp-model precise -free -funroll-loops
FCFLAGS  += -I${MKLROOT}/include -I${MKLROOT}/include/fftw

LDFLAGS   = $(FCFLAGS) -static-intel -static_mpi
LDFLAGS_C = -nofor_main

MKL_LIB   = ${MKLROOT}/lib/intel64

LIBS      = $(MKL_LIB)/libmkl_scalapack_lp64.a
LIBS     += -Wl,--start-group
LIBS     += $(MKL_LIB)/libmkl_intel_lp64.a
LIBS     += ${MKL_LIB}/libmkl_sequential.a
LIBS     += $(MKL_LIB)/libmkl_core.a
LIBS     += ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a
LIBS     += -Wl,--end-group

# Required due to memory leak that occurs if high optimisations are used
mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F
        $(FC) -c $(subst O2,O0,$(FCFLAGS)) $<
----------------------

*After following command *

make -j 6 ARCH=Linux-x86-64-intel-minimal_changed VERSION=popt

*I got the following error message:*

/bin/sh: 1: mpiifort: not found
/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/dbcsr/Makefile:428: 
recipe for target 'dbcsr_kinds.o' failed
make[4]: *** [dbcsr_kinds.o] Error 127
Makefile:129: recipe for target 'libdbcsr' failed
make[3]: *** [libdbcsr] Error 2
/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/Makefile.inc:16: 
recipe for target 'dbcsr' failed
make[2]: *** [dbcsr] Error 2
make[2]: ** Esperando que outros processos terminem.
/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/Makefile:123: 
recipe for target 'popt' failed
make[1]: *** [popt] Error 2
Makefile:118: recipe for target 'all' failed
make: *** [all] Error 2

*mpiifort is installed, such as others codes can be compiled with the intel 
set.*
*By setting explicity the path for mpiifort and mpiicc, e. g.*

CC        = 
/opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiicc
FC        = 
/opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort
LD        = 
/opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort

*the compilation error change to *

/opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort: 
1: eval: ifort: not found
/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/dbcsr/Makefile:428: 
recipe for target 'dbcsr_kinds.o' failed
make[4]: *** [dbcsr_kinds.o] Error 127
Makefile:129: recipe for target 'libdbcsr' failed
make[3]: *** [libdbcsr] Error 2
/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/Makefile.inc:16: 
recipe for target 'dbcsr' failed
make[2]: *** [dbcsr] Error 2
make[2]: ** Esperando que outros processos terminem.
/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/Makefile:123: 
recipe for target 'popt' failed
make[1]: *** [popt] Error 2
Makefile:118: recipe for target 'all' failed
make: *** [all] Error 2

*Anyone would know how to solve this?*
*Thanks in advance.*

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