[CP2K-user] errors during make step of installation of cp2k 6.1

[Mandar Kulkarni]

Dear Developers and Users,

I am trying to install cp2k 6.1 on my laptop using toolchain script. I got 
NVIDIA 940MX card and have working cuda-10.1 installation. Before 
installation I have exported path to openmpi mpirun and nvcc. The 
instructions are followed from CP2K: Automation, Scripting, Testing slides.

*Installation:*
git clone -b support/v6.1 https://github.com/cp2k/cp2k.git cp2k

./install_cp2k_toolchain.sh --enable-cuda

*All necessary files get installed at this step.*

cp 
/home/mandar/softwares/source/cp2k_from_git/cp2k/tools/toolchain/install/arch/* 
/home/mandar/softwares/source/cp2k_from_git/cp2k/arch/

 source 
/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/tools/toolchain/install/setup

make -j 8 ARCH=local VERSION="popt"

*The error is as follows:*
mpif90 -c -march=native -fno-omit-frame-pointer -g  -O3 -funroll-loops 
-ffast-math     -m64 
-I/opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/include 
-I'/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/tools/toolchain/install/fftw-3.3.7/include' 
-I'/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/tools/toolchain/install/libint-1.1.6/include' 
-I'/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/tools/toolchain/install/libxc-4.0.3/include' 
-I'/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/tools/toolchain/install/libxsmm-1.9.0/include' 
-ffree-form -std=f2003 -fimplicit-none  -Werror=aliasing -Werror=ampersand 
-Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std 
-Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all 
-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__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC   
-D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Mar 27 22:23:27 CET 
2019\"" -D__COMPILE_HOST="\"jarvis\"" -D__COMPILE_REVISION="\"svn:18464\"" 
-D__DATA_DIR="\"/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/data\"" 
-D__SHORT_FILE__="\"base/machine.F\"" 
-I'/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/src/base/' 
machine.F90 
/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/tools/build_utils/fypp 
-n 
/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/src/dbcsr/base/dbcsr_toollib.F 
dbcsr_toollib.F90
ifort: command line warning #10006: ignoring unknown option '-ffast-math'
ifort: command line warning #10006: ignoring unknown option '-ffree-form'
ifort: command line warning #10006: ignoring unknown option '-std=f2003'
ifort: command line warning #10006: ignoring unknown option 
'-fimplicit-none'
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
ifort: command line warning #10157: ignoring option '-W'; argument is of 
wrong type
/home/mandar/softwares/source/cp2k_from_git/cp2k_v6.1/cp2k/src/base/machine.F(74): 
error #7013: This module file was not generated by any release of this 
compiler.   [LIBXSMM]
      USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration

any suggestions to solve this issue will be really helpful. TIA.

Regards,
Mandar Kulkarni
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