[CP2K-user] [CP2K:19434] Compile serial CP2K without OpenMP

[Cindy Pham]

Hi cp2k forum,

When I compile the serial makefile (attached below )with all modules
loaded, it gives me the error that I need to add the OpenMP flag due to the
base_uses.f90 file at lines19-21. I wonder whether it is possible to
compile serial CP2K without OpenMP. Thank you in advance.

Best,
Cindy.

Beluga-Linux-x86-64-gfortran.sopt/ Beluga-Linux-x86-64-gfortran.ssmp
# Beluga:
# module --force purge
# module load nixpkgs/16.09 gcc imkl fftw
#  1) nixpkgs/16.09 (S)   2) gcccore/.7.3.0 (H)   3) gcc/7.3.0 (t)   4)
imkl/2018.3.222 (math)   5) fftw/3.3.8 (math)
# (optional, not used) module load libint libxc
# 7) libint/1.1.6 8) libxc/4.2.1

CC       = cc
CPP      =

FC       = gfortran
LD       = gfortran

AR       = ar -r

DFLAGS   = -D__GFORTRAN -D__FFTSG -D__MKL -D__FFTW3
#XC#DFLAGS     += -D__LIBXC
#INT#DFLAGS     += -D__LIBINT

FCFLAGS  = $(DFLAGS) -O0 -ffree-form -ffree-line-length-none -m64
FCFLAGS += -Werror=realloc-lhs -finline-matmul-limit=0 -Werror=aliasing
-Werror=ampersand -Werror=c-binding-type -Werror=intrinsics-std
-Werror=line-truncation -Werror=tabs -Werror=target-lifetime
-Werror=underflow -Werror=unused-but-set-variable -Werror=conversion
-Werror=zerotrip -Wno-maybe-uninitialized -Wuse-without-only

#-Werror=unused-variable
#-Werror=uninitialized
#-Werror=unused-dummy-argument
#
#XC#FCFLAGS    += -I'/cvmfs/
soft.computecanada.ca/easybuild/software/2017/avx2/Compiler/gcc5.4/libxc/4.2.1/include
'

LDFLAGS  = $(FCFLAGS) -static-libgfortran

LIBS     = -L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_gf_lp64
-lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl
LIBS       += -lfftw3
#LIBS       += -lreflapack -lrefblas
#XC#LIBS       += -lxcf03 -lxc
#INT#LIBS       += -lint -lderiv -lstdc++

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