<div dir="ltr"><div dir="auto"><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.666667px;background-color:rgb(255,255,255)">Hi cp2k forum,</span><div><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.666667px;background-color:rgb(255,255,255)"><br></span></div><div><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.666667px;background-color:rgb(255,255,255)">When I compile the serial makefile (attached below )with all modules loaded, it gives me the error that </span><span style="color:rgb(0,0,0);font-size:14.6667px">I need to add the OpenMP flag due to the base_uses.f90 file at lines19-21.</span><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.6667px"> I wonder whether it is possible to compile serial CP2K without OpenMP. Thank you in advance.</span></div><div><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.6667px"><br></span></div><div><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.6667px">Best,</span></div><div><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.6667px">Cindy.</span></div><div><span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.6667px"><br></span></div><div>Beluga-Linux-x86-64-gfortran.sopt/ Beluga-Linux-x86-64-gfortran.ssmp<span style="color:rgb(0,0,0);font-family:-apple-system,HelveticaNeue;font-size:14.6667px"><br></span></div><div># Beluga: <br># module --force purge<br># module load nixpkgs/16.09 gcc imkl fftw<br>#  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)<br># (optional, not used) module load libint libxc<br># 7) libint/1.1.6 8) libxc/4.2.1<br><br>CC       = cc<br>CPP      =<br><br>FC       = gfortran<br>LD       = gfortran<br><br>AR       = ar -r<br><br>DFLAGS   = -D__GFORTRAN -D__FFTSG -D__MKL -D__FFTW3<br>#XC#DFLAGS     += -D__LIBXC<br>#INT#DFLAGS     += -D__LIBINT<br><br>FCFLAGS  = $(DFLAGS) -O0 -ffree-form -ffree-line-length-none -m64<br>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<br><br>#-Werror=unused-variable<br>#-Werror=uninitialized<br>#-Werror=unused-dummy-argument<br>#<br>#XC#FCFLAGS    += -I'/cvmfs/<a href="http://soft.computecanada.ca/easybuild/software/2017/avx2/Compiler/gcc5.4/libxc/4.2.1/include">soft.computecanada.ca/easybuild/software/2017/avx2/Compiler/gcc5.4/libxc/4.2.1/include</a>'<br><br>LDFLAGS  = $(FCFLAGS) -static-libgfortran<br><br>LIBS     = -L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl<br>LIBS       += -lfftw3<br>#LIBS       += -lreflapack -lrefblas<br>#XC#LIBS       += -lxcf03 -lxc<br>#INT#LIBS       += -lint -lderiv -lstdc++<br></div></div></div>

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