[CP2K-user] [CP2K:14307] Re: Compilation problems: mpiifort not found, even though is perfectly installed

[Krack Matthias (PSI)]

Hello

What do you get when you type “which mpiifort”?

The need to specify the full path for the compiler call indicates that your environment is not properly setup.

HTH

Matthias

Von: cp... at googlegroups.com <cp... at googlegroups.com> Im Auftrag von Diego Guedes-Sobrinho
Gesendet: Sonntag, 29. November 2020 11:07
An: cp... at googlegroups.com
Betreff: Re: [CP2K:14307] Re: Compilation problems: mpiifort not found, even though is perfectly installed

Glenn

That's not the case.
The compilers are charged, even into ~/.bashed.rc

As I said, compiling others codes with intel works perfectly.

Em dom, 29 de nov de 2020 01:06, Glenn Wolosh <gwo... at njit.edu<mailto:gwo... at njit.edu>> escreveu:
Oops, that should be

source /opt/intel/compilers_and_libraries_2020.4.304/linux/bin/compilervars.sh intel64

--Glenn

On Saturday, November 28, 2020 at 11:04:51 PM UTC-5 Glenn Wolosh wrote:
You need to source the intel compilers prior to compiling:

source /opt/intel/compilers_and_libraries_2020.4.304/linux/compilervars.sh intel64

--Glenn

On Saturday, November 28, 2020 at 9:18:06 PM UTC-5 gue... at gmail.com<mailto:gue... at gmail.com> wrote:
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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