[CP2K-user] Problem with compilation at cluster

[Carlos Bornes]

Hi there CP2K users

I've tried to compile CP2K at my University's cluster. After running the 
toolchain script I've followed the instruction and copied the files to 
/cp2k-7.1/arch/ and ran 

make -j 4 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"

but I'm getting the following error 

gfortran: error: unrecognized command line option ‘-Wuse-without-only’
make[4]: *** [dbcsr_kinds.o] Error 1
make[3]: *** [libdbcsr] Error 2
make[2]: *** [dbcsr] Error 2
make[1]: *** [popt] Error 2
make[1]: *** Waiting for unfinished jobs....
Resolving dependencies for ssmp ... 
Resolving dependencies for sopt ... 
Resolving dependencies for sdbg ... 
echo git:e635599 > "/scratch_p/cbornes/cp2k-7.1/obj/git-ref.tmp"
echo git:e635599 > "/scratch_p/cbornes/cp2k-7.1/obj/git-ref.tmp"
echo git:e635599 > "/scratch_p/cbornes/cp2k-7.1/obj/git-ref.tmp"
make: *** [all] Error 2

Any idea what is the error? Or where I can find an error log describing the 
error in more detail?


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Script started on Seg 20 Jan 2020 16:12:11 WET
cbornes at argus:/scratch_p/cbornes/cp2k-7.1$ make -j 4 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"
Discovering programs ...
make -C /scratch_p/cbornes/cp2k-7.1/exts/dbcsr \
   INCLUDEMAKE=/scratch_p/cbornes/cp2k-7.1/arch/local.sdbg \
   LIBDIR=/scratch_p/cbornes/cp2k-7.1/lib/local/sdbg/exts/dbcsr \
   OBJDIR=/scratch_p/cbornes/cp2k-7.1/obj/local/sdbg/exts/dbcsr \
   FYPPEXE=/scratch_p/cbornes/cp2k-7.1/tools/build_utils/fypp
make -C /scratch_p/cbornes/cp2k-7.1/exts/dbcsr \
   INCLUDEMAKE=/scratch_p/cbornes/cp2k-7.1/arch/local.sopt \
   LIBDIR=/scratch_p/cbornes/cp2k-7.1/lib/local/sopt/exts/dbcsr \
   OBJDIR=/scratch_p/cbornes/cp2k-7.1/obj/local/sopt/exts/dbcsr \
   FYPPEXE=/scratch_p/cbornes/cp2k-7.1/tools/build_utils/fypp
make -C /scratch_p/cbornes/cp2k-7.1/exts/dbcsr \
   INCLUDEMAKE=/scratch_p/cbornes/cp2k-7.1/arch/local.ssmp \
   LIBDIR=/scratch_p/cbornes/cp2k-7.1/lib/local/ssmp/exts/dbcsr \
   OBJDIR=/scratch_p/cbornes/cp2k-7.1/obj/local/ssmp/exts/dbcsr \
   FYPPEXE=/scratch_p/cbornes/cp2k-7.1/tools/build_utils/fypp
make -C /scratch_p/cbornes/cp2k-7.1/exts/dbcsr \
   INCLUDEMAKE=/scratch_p/cbornes/cp2k-7.1/arch/local.popt \
   LIBDIR=/scratch_p/cbornes/cp2k-7.1/lib/local/popt/exts/dbcsr \
   OBJDIR=/scratch_p/cbornes/cp2k-7.1/obj/local/popt/exts/dbcsr \
   FYPPEXE=/scratch_p/cbornes/cp2k-7.1/tools/build_utils/fypp
Removing stale archives ... 
Removing stale archives ... 
Removing stale archives ... 
Removing stale archives ... 
Resolving dependencies ... 
Resolving dependencies ... 
Resolving dependencies ... 
Resolving dependencies ... 
/scratch_p/cbornes/cp2k-7.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /scratch_p/cbornes/cp2k-7.1/exts/dbcsr/src/base/dbcsr_kinds.F dbcsr_kinds.F90
mpif90 -c -march=native -fno-omit-frame-pointer -g  -O3 -funroll-loops   -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/openmpi-4.0.1/include'  -m64 -I/opt/intel/composer_xe_2013_sp1.2.144/mkl/include -I/opt/intel/composer_xe_2013_sp1.2.144/mkl/include/fftw -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/fftw-3.3.8/include'                -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/libxc-4.3.4/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/libxsmm-1.14/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001/include/elpa-2019.05.001/modules' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001/include/elpa-2019.05.001/elpa' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/scotch-6.0.0/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/parmetis-4.0.3/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/superlu_dist-5.1.2/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/pexsi-0.10.2/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/gsl-2.5/include' -I/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/spglib-1.12.2/include -I/scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/hdf5-1.10.4/include  -ffree-form -std=f2008 -fimplicit-none  -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only  -D__LIBXSMM  -D__parallel  -D__SCALAPACK -D__FFTW3                 -D__LIBINT -D__LIBXC -D__HAS_smm_dnn -D__SCALAPACK -D__ELPA -D__LIBPEXSI -D__QUIP  -D__SPGLIB     -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/scratch_p/cbornes/cp2k-7.1/exts/dbcsr/src/base/' -I'/scratch_p/cbornes/cp2k-7.1/exts/dbcsr/src' dbcsr_kinds.F90 
Removing stale archives for sopt ... 
Removing stale archives for ssmp ... 
Removing stale archives for sdbg ... 
gfortran: error: unrecognized command line option ‘-Wuse-without-only’
make[4]: *** [dbcsr_kinds.o] Error 1
make[3]: *** [libdbcsr] Error 2
make[2]: *** [dbcsr] Error 2
make[1]: *** [popt] Error 2
make[1]: *** Waiting for unfinished jobs....
Resolving dependencies for ssmp ... 
Resolving dependencies for sopt ... 
Resolving dependencies for sdbg ... 
echo git:e635599 > "/scratch_p/cbornes/cp2k-7.1/obj/git-ref.tmp"
echo git:e635599 > "/scratch_p/cbornes/cp2k-7.1/obj/git-ref.tmp"
echo git:e635599 > "/scratch_p/cbornes/cp2k-7.1/obj/git-ref.tmp"
make: *** [all] Error 2
]0;cbornes at argus:/scratch_p/cbornes/cp2k-7.1[cbornes at argus cp2k-7.1]$ exit
exit

Script done on Seg 20 Jan 2020 16:15:11 WET