[CP2K-user] [CP2K:18966] Compilation error of cp2k 2023.1 on ubuntu

[Jibiao Li]

Hi, all

Following the instruction online step by step, I tried to install cp2k
2023.1 on ubuntu 22.04.2
Errors appeared as I try to make it
Need your help to remove this error

jibiaoli at ubuntua:~/codes/cp2k/arch$ make -j 104 ARCH=local VERSION=ssmp
... ...
/home/jibiaoli/intel/oneapi/compiler/latest/linux/bin/intel64/ifort -c
-fopenmp -fp-model precise -g -nofor-main -qopenmp-simd -traceback  -xHost
     -m64 -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include
-I'/home/jibiaoli/codes/cp2k/tools/toolchain/install/fftw-3.3.10/include'
 -I'/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxc-6.0.0/include'
  -D__MKL -D__FFTW3 -D__LIBXC -D__SIRIUS -D__LIBVDWXC
 -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"2023年 06月 24日 星期六
08:54:03 CST\"" -D__COMPILE_HOST="\"ubuntua\""
-D__COMPILE_REVISION="\"git:b888bd8\""
-D__DATA_DIR="\"/home/jibiaoli/codes/cp2k/data\""
-D__SHORT_FILE__="\"pw/ps_wavelet_util.F\""
-I'/home/jibiaoli/codes/cp2k/src/pw/'
-I'/home/jibiaoli/codes/cp2k/obj/local/ssmp/exts/dbcsr' ps_wavelet_util.F90
/home/jibiaoli/codes/cp2k/src/fm/cp_fm_types.F(2261): error #6780: A dummy
argument with the INTENT(IN) attribute shall not be defined nor become
undefined.   [FM]
         READ (unit) fm%local_data(:, j)
---------------------^
compilation aborted for cp_fm_types.F90 (code 1)
make[3]: *** [/home/jibiaoli/codes/cp2k/Makefile:518: cp_fm_types.o] Error 1
make[3]: *** Waiting for unfinished jobs....
make[2]: *** [/home/jibiaoli/codes/cp2k/Makefile:146: all] Error 2
make[1]: *** [/home/jibiaoli/codes/cp2k/Makefile:128: ssmp] Error 2
make: *** [Makefile:123: all] Error 2



CC          =
/home/jibiaoli/intel/oneapi/compiler/latest/linux/bin/intel64/icc
CXX         =
/home/jibiaoli/intel/oneapi/compiler/latest/linux/bin/intel64/icpc
AR          = ar -r
FC          =
/home/jibiaoli/intel/oneapi/compiler/latest/linux/bin/intel64/ifort
LD          =
/home/jibiaoli/intel/oneapi/compiler/latest/linux/bin/intel64/ifort

DFLAGS      = -D__MKL -D__FFTW3 -D__LIBXC -D__SIRIUS -D__LIBVDWXC

CFLAGS      = -fopenmp -fp-model precise -g -nofor-main -qopenmp-simd
-traceback  -xHost  $(PROFOPT)    -m64
-I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include
-I'/home/jibiaoli/codes/cp2k/tools/toolchain
/install/fftw-3.3.10/include'
 -I'/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxc-6.0.0/include'
$(DFLAGS)

FCFLAGS     = -fopenmp -fp-model precise -g -nofor-main -qopenmp-simd
-traceback  -xHost  $(PROFOPT)    -m64
-I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include
-I'/home/jibiaoli/codes/cp2k/tools/toolchain
/install/fftw-3.3.10/include'
 -I'/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxc-6.0.0/include'
$(FCDEBFLAGS) $(WFLAGS) $(DFLAGS)

CXXFLAGS    = -O2 -fPIC -fno-omit-frame-pointer -fopenmp -g -march=native
-mtune=native --std=c++14 $(DFLAGS) -Wno-deprecated-declarations

LDFLAGS     =  $(FCFLAGS) -Wl,--enable-new-dtags
-L'/home/jibiaoli/codes/cp2k/tools/toolchain/install/fftw-3.3.10/lib'
-Wl,-rpath,'/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxc-6.0.0/lib'

LIBS        =  -lfftw3 -lfftw3_omp
 -L/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxc-6.0.0/lib
-lxcf03 -lxc  -L/home/jibiaoli/intel/oneapi/mkl/2022.1.0/lib/intel64
-Wl,-rpath,/home/jibiaoli/intel
/oneapi/mkl/2022.1.0/lib/intel64  -Wl,--start-group -lmkl_gf_lp64
-lmkl_sequential -lmkl_core  -Wl,--end-group -lpthread -lm -ldl -lvori
-lstdc++ -lstdc++

Best

Jibiao Li

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