Differences

This shows you the differences between two versions of the page.

--- howto:compile_on_windows_with_cygwin [2022/09/14 10:04] – alazzaro
+++ howto:compile_on_windows_with_cygwin [2025/09/07 07:07] (current) – [3b LIBINT (optional)] iwao
@@ Line 1: / Line 1: @@
-<WRAP center round alert 60%>
+<note tip>We recommend to try first the [[https://ubuntu.com/tutorials/install-ubuntu-on-wsl2-on-windows-11-with-gui-support#1-overview|Windows Subsystem for Linux]] (WSL) before reaching for Cygwin.
-This page is not supported anymore. We suggest to use [[https://ubuntu.com/tutorials/install-ubuntu-on-wsl2-on-windows-11-with-gui-support#1-overview|Windows Subsystem for Linux]] instead and then use the CP2K Linux installation instructions.
+Check [[howto:compile_on_windows|this howto]] for further details.
-</WRAP>
+</note>
-====== How to Compile and Install CP2K on Windows with Cygwin ======
+======How to Compile and Install CP2K on Windows with Cygwin======
-===== 1.Cygwin installation: =====
+I believe there are several ways to build CP2K binaries for Windows. Here I describe how to install Cygwin on Windows 10/11, build CP2K with openmpi on the Cygwin, and run it on a PC without Cygwin.\\
-[[http://www.cygwin.com|Cygwin]] is a large collection of GNU and Open Source tools which provides functionality similar to a Linux distribution on Windows.\\
-To compile CP2K on Windows, you should install [[http://www.cygwin.com|Cygwin]] in the first place if it is not installed on your Windows PC.\\
-For 32 bit Windows execute  [[http://cygwin.com/setup-x86.exe|setup_x86.exe]] and follow the rest of directions in the wizard.
+=====1 Install Cygwin=====
-For 64 bit Windows[[http://cygwin.com/setup-x86_64.exe|setup_x86_64.exe]] can be used.\\
-When installing Cygwin make sure you install the following additional packages:\\
+[[https://www.cygwin.com|Cygwin]] is a large collection of GNU and Open Source tools which provides functionality similar to a Linux distribution on Windows, which has been used for a long time.\\
-  *Devel
-    *“bison”
+You can install Cygwin on your 64 bit Windows by using [[https://www.cygwin.com/setup-x86_64.exe|setup-x86_64.exe]]
-    *“byacc”
+and build cp2k on the Cygwin-Windows system.\\
-    *“gcc-fortran”
-    *“gcc-g++”
+When installing Cygwin, make sure that you will install the following additional packages:\\
-    *“make”
-  *Libs
-      *“lapack”
-      *“liblapack-devel”
-      *“liblapack0”
-  *Python\\
-Please operate according to the wizard to finish the Cygwin installation.\\
-===== 2.Acquisition the code =====
-Visit [[http://sourceforge.net/projects/cp2k/files/|sourceforge CP2K project page]] and download any of cp2k-2.x.x.tar.bz2.\\
-Some archivers generate PaxHeaders.xxxx directories in cp2k-2.x.x directory when unpacking. Files in these directories may prevent CP2K compilation with Cygwin, it is recommended to unpack tar.bz2 by using the following Cygwin command:\\
 <code>
-tar -xvf cp2k-2.x.x.tar.bz2
+Archive
+  hdf5
+  libhdf5-devel
+Devel
+  autoconf
+  automake
+  bison
+  byacc
+  cmake
+  gcc-fortran
+  gcc-g++
+  libtool
+  make
+GNOME
+  libglade
+Libs
+  fftw3
+  lapack
+  libevent-devel
+  libxerces-c31
+  libxerces-c-devel
+  libfftw3-devel
+  libfftw3-omp3
+  libfftw3_3
+  libgsl-devel
+  libgsl0
+  libgsl19
+  liblapack-devel
+  liblapack0
+  libopenmpi-devel
+  libopenmpi12
+  libopenmpi40
+  libopenmpicxxl
+  libopenmpifh40
+  libopenmpiusef08_40
+  libopenmpiusetkr40
+  openmpi
+  zlib
+  zlib-devel
+Python
+Math
+  libopenblas
+Science
+  gsl
+Utils
+  hdf5
+  libhdf5-devel
+  libhwloc-devel
 </code>
-===== 3.Compilation with Cygwin =====
+Follow the wizard instruction to finish the Cygwin (and packages) installation.\\
-An ARCH file (a definition file) for Cygwin is as follows:\\
+=====2 Acquire the Code=====
+Download a [[https://github.com/cp2k/cp2k/releases/|release]]
+(use the versioned tarballs, `cp2k-X.Y.tar.bz2`) and extract a tarball on the Cygwin64 bash terminal as follows:\\
+<code>
+$ tar -xvf cp2k-X.Y.tar.bz2
+</code>
+For more details on downloading CP2K, see [[https://www.cp2k.org/download]].\\
+=====3 Build Prerequisites=====
+Source codes of most prerequisities are available not only on individual supplyers but also on [[https://www.cp2k.org/static/downloads/]].\\
+====3a scalapack(optional)====
+Download and extract [[https://www.cp2k.org/static/downloads/scalapack-2.1.0.tgz|"scalapack-2.1.0.tgz"]].\\
+Rename "SLmake.inc.example" to "SLmake.inc" in the generated "scalapack-2.1.0" directory.\\
+Edit the "SLmake.inc" as follows:\\
+<code>
+#FCFLAGS       = -O3
+FCFLAGS       = -O3 -w -fallow-argument-mismatch
+</code>
+Edit "BLACS/TESTING/Makefile" as follows:\\
+<code>
+#blacstest.o : blacstest.f
+#	$(FC) $(NOOPT) -c $*.f
+blacstest.o : blacstest.f
+	$(FC) -c $(FCFLAGS) $*.f
+</code>
+Change the current directory to "scalapack-2.1.0" on the Cygwin 64 terminal  and execute "make".\\
+After the "make" is completed, copy the generated "libscalapack.a" to "/usr/local/lib" because "make install" does not work.\\
+====3b LIBINT (optional)====
+Download a CP2K-configured LIBINT library from [[https://github.com/cp2k/libint-cp2k|libint-cp2k]]
+and extract the archive (e.g."libint-v2.6.0-cp2k-lmax-7.tgz") by using the similar way as the cp2k tarball case or something like [[https://www.7-zip.org|7-zip]].\\
+Change the current directory to the generated libint directory and execute the following commands on Cygwin 64 bash terminal:\\
+<code>
+$ cd libint-v2.6.0-cp2k-lmax-7
+$ ./configure --enable-fortran=yes --with-cxx=gcc
+$ make
+</code>
+If you find a static library file "libint2.a" in "libint-v2.6.0-cp2k-lmax-7/lib/.libs" directory, the "make" is successful.\\
+And then change the current directory to "fortran" and execute "make". \\
+<code>
+$ cd fortran
+$ make
+</code>
+However this may result in:
+<code>
+ "Error: missing '(' before "__has_include" operand"
+</code>
+and so on, the "make" is successful if "libint_f.mod" is found in the "fortran" directory.\\
+Copy a generated file "libint-v2.6.0-cp2k-lmax-7/lib/.libs/linint2.a" and a "libint-v2.6.0-cp2k-lmax-7/include/libint2" directory manually into "(cygwin-root)/usr/local/lib" and "(cygwin-root)/usr/local/include" directories respectively. Copy "libint-v2.6.0-cp2k-lmax-7/include/libint2_params.h" into the "(cygwin-root)/usr/local/include/libint2".\\
+("Make install" does not seem to work.)\\
+In the arch file of CP2K: add <code>-D__LIBINT</code> to the DFLAGS. Add <code>-L/usr/local/lib -lint2 -lstdc++</code> to LIBS and <code>-I/usr/local/include</code> to FCFLAGS. lstdc++ is needed because of using the GNU C++ compiler.\\
+====3c LIBXC (optional)====
+The version 7.0.0 of LIBXC can be downloaded from [[https://www.cp2k.org/static/downloads/libxc-7.0.0.tar.bz2|CP2K Static Download Page]].\\
+Download and extract "libxc-7.0.0.tar.gz2" by using the similar way as cp2k tarball case or a tool something like [[https://www.7-zip.org|7-zip]].\\
+Autoconf, automake and libtool, which are not installed by default but are required to build LIBXC.\\
+Change the current directory to the "libxc-7.0.0" directory and execute the following commands on the Cygwin 64 bash terminal:\\
+<code>
+$ cd libxc-7.0.0
+$ export F77=gfortran
+$ aclocal
+$ autoheader
+$ automake -c -a
+$ libtoolize -c
+$ touch Makefile.in
+$ touch src/Makefile.in
+$ touch src/maple2c/Makefile.in
+$ touch src/maple2c/lda_exc/Makefile.in
+$ touch src/maple2c/lda_vxc/Makefile.in
+$ touch src/maple2c/gga_exc/Makefile.in
+$ touch src/maple2c/gga_vxc/Makefile.in
+$ touch src/maple2c/mgga_exc/Makefile.in
+$ touch src/maple2c/mgga_vxc/Makefile.in
+$ touch testsuite/Makefile.in
+$ touch testsuite/pytest/Makefile.in
+$ touch pkgconfig/Makefile.in
+$ touch pylibxc/Makefile.in
+$ touch scripts/Makefile.in
+$ touch maple/Makefile.in
+$ touch maple/gga_exc/Makefile.in
+$ touch maple/gga_vxc/Makefile.in
+$ touch maple/lda_exc/Makefile.in
+$ touch maple/lda_vxc/Makefile.in
+$ touch maple/mgga_exc/Makefile.in
+$ touch maple/mgga_vxc/Makefile.in
+$ touch cmake/Makefile.in
+$ autoconf
+$ autoreconf --install
+$ ./configure --prefix=/usr/local
+$ make
+$ make install
+</code>
+Libxc will be installed into /usr/local/ in this case.\\
+In the arch file of CP2K: add <code>-D__LIBXC</code> to DFLAGS, <code>-I/usr/local/include</code> to FCFLAGS and <code>-L$/usr/local/lib -lxcf03 -lxc</code> to LIBS.
+====3d libxsmm(optional)=====
+A library for matrix operations and deep learning primitives: [[https://github.com/hfp/libxsmm/]]\\
+Download and extract [[https://github.com/libxsmm/libxsmm/archive/refs/tags/1.16.1.tar.gz|"libxsmm-1.16.1.tar.gz"]].\\
+Change the current directory to the "libxsmm-1.16.1" and execute the following commands on the Cygwin 64 terminal:\\
+<code>
+$ make
+$ make PREFIX=/usr/local install
+</code>
+In the arch file of CP2K: add <code>-D__LIBXSMM</code> to enable it, with include and library paths, i.e., <code>FCFLAGS += -I/usr/local/include -D__LIBXSMM</code> and <code>LIBS += -L/usr/local/lib -lxsmmf -lxsmm -ldl</code>S\\
+====3e PEXSI (optional)====
+PEXSI requires parmetis, scotch, CombBLAS_bata, upcxx, symPACK and superLU_dist.\\
+===3e1 parmetis===
+Download and extract [[http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis/parmetis-4.0.3.tar.gz|"parmetis-4.0.3.tar.gz"]].\\
+Cygwin does'nt have execinfo, edit "metis/GKlib/error.c" and invalidate (comment out) the "#ifdef HAVE_EXECINFO_H to #endif" section such as:\\
+<code>
+/*************************************************************************
+* This function prints a backtrace of calling functions
+**************************************************************************/
+void PrintBackTrace()
+{
+#ifdef HAVE_EXECINFO_H
+/*
+  void *array[10];
+  int i, size;
+  char **strings;
+  size = backtrace(array, 10);
+  strings = backtrace_symbols(array, size);
+  printf("Obtained %d stack frames.\n", size);
+  for (i=0; i<size; i++) {
+    printf("%s\n", strings[i]);
+  }
+  free(strings);
+*/
+#endif
+}
+</code>
+And then execute the following commands on the Cygwin terminal:
+<code>
+$ make config
+</code>
+If you find "ld: cannot find -lmpi_cxx" error during "make config (cmake)", dupulicate "cygwin/lib/libmpi.dll.a" by using cp(copy) command and rename a half of it to "libmpi_cxx.a".\\
+After "make config", execute the following commands:
+<code>
+$ make
+$ make install
+</code>
+Parmetis will be installed into /usr/local/ by default.\\
+If you have an error during the "make", delete the all contents in "build" directory and try to rebuild.\\
+===3e2 scotch===
+Download and extract [[https://www.cp2k.org/static/downloads/scotch_6.0.0.tar.gz|"scotch_6.0.0.tar.gz"]].\\
+(It looks like [[https://gitlab.inria.fr/scotch/scotch/-/releases|the original supplyer]] no longer supports v6.0.0.) \\
+Copy "src/Make.inc/Makefile.inc.i686_pc_linux2" into "src" and rename it as "Makefile.inc".\\
+Add "-DINTSIZE64 -DIDXSIZE64 -DOMPI_BUILDING" to CFLAGS on the "Makefile.inc".\\
+<code>
+CFLAGS		= -O3 -DCOMMON_FILE_COMPRESS_GZ -DCOMMON_PTHREAD -DCOMMON_RANDOM_FIXED_SEED -DSCOTCH_RENAME -DSCOTCH_PTHREAD -Drestrict=__restrict -DINTSIZE64 -DIDXSIZE64 -DOMPI_BUILDING
+</code>
+And then execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd scotch_6.0.0/src
+$ make ptscotch
+$ make install
+</code>
+===3e3  CombBLAS_bata===
+Download and extract [[https://eecs.berkeley.edu/~aydin/CombBLAS_FILES/CombBLAS_beta_16_2.tgz|CombBLAS_beta_16_2.tgz]].\\
+Edit "CombBLAS_beta_16_2/CMakeLists.txt" and add a linker flag "-lmpi".\\
+<code>
+ADD_SUBDIRECTORY( usort )
+target_link_libraries(CombBLAS PUBLIC Usortlib)
+ADD_SUBDIRECTORY( graph500-1.2/generator )
+target_link_libraries(CombBLAS PUBLIC GraphGenlib)
+# add new
+SET(CMAKE_EXE_LINKER_FLAGS  "${CMAKE_EXE_LINKER_FLAGS} -lmpi")
+#end add new
+# Set up exported configuration
+# This allows CombBLAS to be installed in two ways:
+#   1. In /usr/local (or whatever prefix is specified)
+#   2. Exporting the current build directory. This allows a user to make
+#      modifications to CombBLAS and have the changes automatically recompiled for
+#      dependent projects.
+# Either way, we need to create a CombBLASConfig.cmake
+</code>
+And then execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd CombBLAS_beta_16_2
+$ mkdir build
+$ mkdir install
+$ cd build
+$ cmake .. -DCMAKE_INSTALL_PREFIX=../install
+$ make
+$ make install
+</code>
+===3e4 upcxx===
+Download and extract [[https://bitbucket.org/berkeleylab/upcxx/downloads/upcxx-2019.9.0.tar.gz|"upcxx-2019.9.0.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$  ./install /usr/local/upcxx
+</code>
+The successful installation will display "UPC++ successfully installed" at the end.\\
+===3e5 symPACK===
+Download and extract [[https://github.com/symPACK/symPACK/archive/refs/tags/v2.0.1.tar.gz|"symPACK-2.0.1.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd symPACK-2.0.1
+$ mkdir build
+$ cd build
+$ cmake .. -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=/usr/local -DCMAKE_PREFIX_PATH=/usr/local/upcxx
+</code>
+===3e6 superLU_dist===
+Download and extract [[https://github.com/xiaoyeli/superlu_dist/archive/refs/tags/v6.1.0.tar.gz|"superlu_dist_6.1.0.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd SuperLU_DIST_6.1.0
+$ export PARMETIS_ROOT=/usr/local
+$ export PARMETIS_BUILD_DIR=${HOME}/parmetis-4.0.3/build/CYGWIN_NT-10.0-x86_64
+$ export COMBBLAS_ROOT=/usr/local/combblas
+$ export COMBBLAS_BUILD_DIR=${HOME}/CombBLAS_beta_16_2/build
+$ mkdir build
+$ cd build
+$ cmake .. \
+    -DTPL_PARMETIS_INCLUDE_DIRS="/usr/local/include;${HOME}/parmetis-4.0.3/metis/include" \
+    -DTPL_PARMETIS_LIBRARIES="/usr/local/lib/libparmetis.a;/usr/local/lib/libmetis.a" \
+    -DCMAKE_INSTALL_PREFIX=/usr/local
+</code>
+Edit the following generated files after cmake and add the "-lmpi" flag at the end of the line.\\
+  *build/TEST/CMakeFiles/pdtest.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pddrive.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pddrive1.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pddrive2.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pddrive3.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pddrive4.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pzdrive.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pzdrive1.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pzdrive2.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pzdrive3.dir/link.txt
+  *build/EXAMPLE/CMakeFiles/pzdrive4.dir/link.txt\\
+For example:\\
+<code>
+/usr/bin/c++.exe -fopenmp -fexceptions -std=c++11   -Wl,--enable-auto-import  -fopenmp CMakeFiles/pddrive.dir/pddrive.c.o CMakeFiles/pddrive.dir/dcreate_matrix.c.o  -o pddrive.exe -Wl,--out-implib,libpddrive.dll.a -Wl,--major-image-version,0,--minor-image-version,0  ../SRC/libsuperlu_dist.a -lblas -lm -lmpi -lopen-rte -lopen-pal -Wl,-Bstatic -lm -Wl,-Bdynamic /usr/lib/w32api/libgdi32.a -llapack -lblas /usr/local/lib/libparmetis.a /usr/local/lib/libmetis.a -lm -lmpi
+</code>
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ make
+$ make install
+</code>
+SuperLU_DIST will be installed into /usr/local/ by default.\\
+===3e7 PEXSI===
+Download and extract [[https://bitbucket.org/berkeleylab/pexsi/downloads/pexsi_v1.2.0.tar.gz|"pexsi_v1.2.0.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd pexsi_v1.2.0
+$ mkdir build
+</code>
+Copy config/build.sh.linux.gnu into "build" directory and rename it as "build.sh".\\
+<code>
+$ cp config/build.sh.linux.gnu ./build
+$ mv build/build.sh.linux.gnu build/build.sh
+</code>
+Edit the content of "build/build.sh" and replace the content with:\\
+<code>
+CC=mpicc
+CXX=mpicxx
+FC=mpif90
+PEXSI_INSTALL_DIR=/usr/local/pexsi
+BLAS_LIB=/lib/libblas.dll.a
+LAPACK_LIB=/lib/liblapack.dll.a
+DSUPERLU_DIR=/usr/local
+PARMETIS_DIR=/usr/local
+METIS_DIR=/usr/local
+GFORTRAN_LIB=/lib/gcc/x86_64-pc-cygwin/10/libgfortran.dll.a
+cmake \
+  -DCMAKE_INSTALL_PREFIX=$PEXSI_INSTALL_DIR \
+  -DCMAKE_C_COMPILER=$CC \
+  -DCMAKE_CXX_COMPILER=$CXX \
+  -DCMAKE_CXX_FLAGS=-DOMPI_BUILDING \
+  -DCMAKE_Fortran_COMPILER=$FC \
+  -Dlinalg_BLAS_LIBRARIES="$BLAS_LIB;-fopenmp;-lm;$GFORTRAN_LIB;-lblas;-lquadmath" \
+  -Dlinalg_LAPACK_LIBRARIES="$LAPACK_LIB;-lblas;-lquadmath" \
+  -Dsuperlu_dist_INCLUDE_DIR=$DSUPERLU_DIR/include \
+  -Dsuperlu_dist_LIBRARIES=$DSUPERLU_DIR/lib/libsuperlu_dist.a \
+  -Dmetis_INCLUDE_DIR=$METIS_DIR/include \
+  -Dmetis_LIBRARIES=$METIS_DIR/lib/libmetis.a \
+  -Dparmetis_INCLUDE_DIR=$PARMETIS_DIR/include \
+  -Dparmetis_LIBRARIES=$PARMETIS_DIR/lib/libparmetis.a \
+  ..
+</code>
+Execute the following commands:\\
+<code>
+$ ./build.sh
+$ make
+$ make install
+</code>
+The "make install" will install pexsi into the specified directory "usr/local/pexsi".\\
+In the arch file of CP2K: Add <code>-D__LIBPEXSI</code> to DFLAGS. Add <code>-I$(PEXSI_DIR)/fortran/ (e.g.-I/(username)/pexsi_v1.2.0/fortran) </code>to FCFLAGS.
+Add <code>-lpexsi -llapack -lblas -lsuperlu_dist -lparmetis -lmetis</code>, and their paths with <code>-L/usr/local/pexsi/lib</code> to LIBS.\\
+====3f QUIP (optional)===
+Download "[[https://www.cp2k.org/static/downloads/QUIP-b4336484fb65b0e73211a8f920ae4361c7c353fd.tar.gz|QUIP-b4336484fb65b0e73211a8f920ae4361c7c353fd.tar.gz]]" and extract it.
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd QUIP-b4336484fb65b0e73211a8f920ae4361c7c353fd
+$ export QUIP_ARCH=linux_x86_64_gfortran
+$ make config
+</code>
+In the following "make config" example, the defaults are accepted except the python and pip location on the cygwin and cp2k support choice for quip.\\
+<code>
+Using QUIP_ARCH=linux_x86_64_gfortran, MODULES=libAtoms Potentials Utils, QUIP_ROOT=/home/gan_t/QUIP-b4336484fb65b0e73211a8f920ae4361c7c353fd
+In the following, hit enter to accept the defaults.
+BUILD OPTIONS
+=============
+Please enter the linking options for LAPACK and BLAS libraries:
+   Default: -llapack -lblas
+Please enter the preferred python command:
+   Default: /usr/bin/python
+/bin/pyton2.7
+Please enter the preferred pip command:
+   Default:
+/bin/pip2.7
+Please enter any other extra linking options:
+   Default: none
+OPTIONAL INTERNAL FEATURES
+==========================
+Would you like to compile with CP2K support? [y/n]
+   Default: n
+y
+Would you like to compile with VASP support? [y/n]
+   Default: n
+Would you like to compile with Tight Binding (TB) support? [y/n]
+   Default: n
+Would you like to compile with preconditioned minimisation support? (not working with Intel compiler) [y/n]
+   Default: y
+Would you like to compile with Learn-on-the-fly (LOTF) support? [y/n]
+   Default: n
+Would you like to compile with ONIOM support? [y/n]
+   Default: n
+Would you like to compile with LOCAL_E_MIX support? [y/n]
+   Default: n
+Would you like to compile with QuasiContinuum wrapper support? [y/n]
+   Default: n
+OPTIONAL FEATURES (EXTRA CODE REQUIRED)
+=======================================
+Would you like to compile with GAP support ? [y/n]
+   Default: n
+Please enter directories where the Turbo-GAP main directory is:
+   Default: no Turbo-GAP present
+Would you like to turn on QR decomposition for some GAP operations? [y/n]
+   Default: y
+Checking for ThirdParty directory...
+   Not found.
+Would you like to compile with TTM3-F support? [y/n]
+   Default: n
+Would you like to compile with SCME support ? [y/n]
+   Default: n
+Would you like to compile with MTP support ? [y/n]
+   Default: n
+Would you like to compile with many-body dispersion support ? [y/n]
+   Default: n
+Would you like to compile with TTM_NF support ? [y/n]
+   Default: n
+Would you like to compile with CH4 support ? [y/n]
+   Default: n
+OPTIONAL EXTERNAL LIBRARIES
+===========================
+Would you like to compile with NetCDF4 support? [y/n]
+   Default: n
+Please enter directories where MDCORE libraries are kept:
+   Default: no MDCORE present
+Please enter directory where the ASAP library is kept:
+   Default: no ASAP library present
+Please enter directories where CGAL libraries are kept:
+   Default: no CGAL present
+Please enter directories where METIS libraries are kept:
+   Default: no METIS present
+Please enter directories where LMTO_TBE libraries are kept:
+   Default: no LMTO_TBE present
+</code>
+After "make config", execute the following commands on the Cygwin terminal:\\
+<code>
+$ make
+$ export QUIP_INSTALLDIR=/usr/local
+$ make install
+$ make libquip
+</code>
+If you find "libquip.a" in build/linux_x86_64_gfortran directory, the make was completed successfully.\\
+Copy "build/linux_x86_64_gfortran/libquip.a" into "usr/local/lib" manually and finish the installation.\\
+In the arch file of CP2K: Add <code>-D__QUIP</code> to DFLAGS. Add <code>-lquip</code> to LIBS. Add <code>-Wl,--stack,4194304</code> to FCFLAGS, to avoid a "Exception: STATUS_STACK_OVERFLOW" error.\\
+====3g spfft(optional)====
+Download and extract [[https://github.com/eth-cscs/SpFFT/archive/refs/tags/v1.0.5.tar.gz|"SpFFT-1.0.5.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd spFFT-1.0.5
+$ mkdir build
+$ cd build
+$ cmake .. -DCMAKE_BUILD_TYPE=RELEASE -DSPFFT_FORTRAN=ON　-DSPFFT_OMP=ON -DSPFFT_MPI=ON -DSPFFT_SINGLE_PRECISION=OFF -DCMAKE_INSTALL_PREFIX=/usr/local
+$ make
+$ make install
+</code>
+====3h spla(optional)====
+Download and extract [[https://github.com/eth-cscs/spla/archive/refs/tags/v1.5.2.tar.gz|"spla-1.5.2.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd spla-1.5.2
+$ mkdir build
+$ cd build
+$ cmake .. -DCMAKE_INSTALL_PREFIX=/usr/local
+$ make
+$ make install
+</code>
+====3i SIRIUS (optional)====
+SIRIUS-7.3.0 requires spglib-1.0.2 or later and gsl 2.7 or later.\\
+===3i1 spglib===
+Download and extract [[https://www.cp2k.org/static/downloads/spglib-1.16.0.tar.gz|"spglib-1.16.1.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd spglib-1.16.2
+$ mkdir build
+$ cd build
+$ cmake ..
+$ make
+$ make install
+</code>
+The "make install" will install spglib into /usr/local by default.\\
+In the arch file of CP2K: Add <code>-D__SPGLIB</code> to DFLAGS.
+===3i2 gsl 2.7===
+If you have the following gsl-related error during building sirius (i.e. "make" sirius), gsl has not been installed on cygwin or the installed gsl is too old for the sirius.\\
+<code>
+sirius-7.3.0/src/specfunc/specfunc.hpp:31:10: fatal error: gsl/gsl_sf_hermite.h: No such file or directory
+| #include <gsl/gsl_sf_hermite.h>
+      |          ^~~~~~~~~~~~~~~~~~~~~~
+compilation terminated.
+</code>
+Gsl 2.7 or later is required in this case. If Cygwin setup.exe does't supply the latest binary, you had better build the gsl from the source.\\
+Download and extract [[https://mirror.ibcp.fr/pub/gnu/gsl/gsl-2.7.tar.gz|"gsl-2.7.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd gsl-2.7
+$ ./configure
+$ make
+$ make install
+</code>
+The "make install" will install gsl into usr/local by default.
+===3i3 SIRIUS===
+Download and extract [[https://github.com/electronic-structure/SIRIUS/archive/refs/tags/v7.3.0.tar.gz|"SIRIUS-7.3.0.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd sirius-7.3.0
+$ mkdir build
+$ cd build
+$ export CXX=mpicxx CC=mpicc FC=mpif90
+$ cmake .. -DCMAKE_INSTALL_PREFIX=/usr/local/sirius
+$ make
+$ make install
+</code>
+If you have a link error "ld: smearing.cpp: undefined reference to `gsl_sf_hermite'" during the "make",
+the error is caused by your own built gsl which installed into "usr/local" instead of Cygwin root.
+Edit "build/src/CMakeFiles/sirius.dir/link.txt" and add the string "/usr/local/lib/libgsl.dll.a" as following:\\
+<code>
+/usr/bin/mpicxx  -Wall -O3 -DNDEBUG -shared -Wl,--enable-auto-import -o cygsirius.dll -Wl,--out-implib,libsirius.dll.a -Wl,--major-image-version,0,--minor-image-version,0 CMakeFiles/sirius.dir/hamiltonian/hamiltonian.cpp.o
+...
+CMakeFiles/sirius.dir/context/simulation_context.cpp.o CMakeFiles/sirius.dir/context/simulation_parameters.cpp.o CMakeFiles/sirius.dir/api/sirius_api.cpp.o CMakeFiles/sirius.dir/api/sirius.f90.o  /usr/local/lib/libspfft.dll.a /usr/local/lib/libspla.dll.a /usr/local/lib/libgsl.dll.a /usr/lib/libgsl.dll.a /usr/local/lib/libopenblas.dll.a -lm -ldl /usr/local/lib/libxc.a /usr/local/lib/libsymspg.dll.a /usr/lib/libhdf5.dll.a /usr/lib/gcc/x86_64-pc-cygwin/11/libgomp.dll.a -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lgfortran -lquadmath -lm
+</code>
+Edit the cp2k code, "src/sirius_interface.f" and set the arguments of the subroutine sirius_initialize to "TRUE".\\
+<code>
+   SUBROUTINE cp_sirius_init()
+! brhr editted
+!      CALL sirius_initialize(.FALSE.)
+     CALL sirius_initialize(.TRUE.)
+! end brhr editted
+   END SUBROUTINE cp_sirius_init
+</code>
+In the arch file of CP2K: Add <code>-D__SIRIUS</code> to DFLAGS.\\
+====3j Libvori (optional)====
+Download and extract [[https://brehm-research.de/files/libvori-220621.tar.gz|"libvori-220621.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd libvori-220621
+$ mkdir build
+$ cd build
+$ cmake -DCMAKE_CXX_COMPILER=g++ ..
+$ make
+$ make install
+</code>
+The "make install" will install libvori into usr/local by default.
+In the arch file of CP2K: Add <code>-D__LIBVORI</code> to DFLAGS.
+====3k libvdwxc (optional)====
+Download and extract [[https://www.cp2k.org/static/downloads/libvdwxc-0.4.0.tar.gz|"libvdwxc-0.4.0.tar.gz"]].
+Execute the following commands on the Cygwin terminal:\\
+<code>
+$ cd libvdwxc-0.4.0
+$ ./configure
+$ make
+$ make install
+</code>
+The "make install" will install libvdwxc into usr/local by default.\\
+In the arch file of CP2K: Add <code>-D__LIBVDWXC</code> to DFLAGS.\\
+=====4 Compile CP2K with Cygwin=====
+Prepare a arch file. The following is an example with all options. \\
 <file>
-CC       = cc
+# Put this file on cp2k-2022.1/arch and execute the following command on the cp2k-2022.1 root directory
-CPP      =
+# make ARCH=Cygwin-x86_64-gfortran VERSION=ssmp
-FC       = gfortran
+# if you wish to clean, do either make ARCH=Cygwin-x86_64-gfortran VERSION=ssmp clean
-LD       = gfortran
+# or make ARCH=Cygwin-x86_64-gfortran VERSION=ssmp distclean
+CC       = gcc
+FC       = mpif90
+LD       = mpif90
 AR       = ar -r
+CFLAGS = -g -O2 -fopenmp  -fopenmp-simd -funroll-loops -ftree-vectorize -march=native -mtune=native
 CPPFLAGS =
-DFLAGS   = -D__FFTSG
-FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form $(DFLAGS)
+DFLAGS   = -D__GFORTRAN -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__SIRIUS -D__LIBVDWXC
-LDFLAGS  = $(FCFLAGS)
+DFLAGS +=  -D__LIBXSMM  -D__LIBPEXSI -D__QUIP -D__LIBVORI
-LIBS     =  -llapack -lblas
+FCFLAGS  = -ffree-form -ffree-line-length-none -fno-omit-frame-pointer
+FCFLAGS += -fbacktrace -std=f2008 -Wl,--stack,4194304
+FCFLAGS += -I/usr/include -I/usr/local/include -I/home/(usename)/libint-v2.6.0-cp2k-lmax-7/include -I/usr/local/sirius/include
+FCFLAGS += -I/home/(usename)/pexsi_v1.2.0/fortran  $(CFLAGS) $(DFLAGS)
+LDFLAGS  = $(FCFLAGS) -static
+LIBS    =  -lpexsi -llapack -lblas -lint2 -lxc -lxcf03 -lvori -lquip -ldl -ldbghelp -lvdwxc -lstdc++
+LIBS   +=  -lgsl -lz -ldl -lm -lsuperlu_dist -lparmetis -lmetis -fopenmp -fopenmp-simd
+LIBS   +=  -L/usr/local/lib  -L/usr/local/pexsi/lib
+LIBS   +=  /usr/lib/gcc/x86_64-pc-cygwin/11/libstdc++.a  /usr/local/lib/DbgHelp.Lib
+LIBS   +=  /usr/lib/libgsl.dll.a /usr/lib/libmpi.dll.a /usr/local/lib/libxc.a /usr/local/lib/libxcf03.a /usr/local/lib/libxcf90.a
+LIBS   +=  /usr/local/lib/libsymspg.dll.a /usr/lib/libhdf5.dll.a /usr/lib/libhdf5_hl.dll.a /usr/lib/libhdf5.dll.a /usr/lib/liblapack.dll.a
+LIBS   +=  /usr/lib/libblas.dll.a /usr/lib/libfftw3.dll.a /usr/lib/libfftw3_omp.dll.a /usr/local/lib/libopenblas.a
+LIBS   +=  /usr/local/lib/libint2.a /usr/local/lib/libsymspg.a /usr/local/lib/libsymspg.dll.a /usr/local/sirius/lib/libsirius.dll.a
+LIBS   +=  /usr/lib/libfftw3_threads.dll.a /usr/local/lib/libxsmmf.lib /usr/local/lib/libxsmm.lib -llapack -lblas -ldbghelp
+LIBS   +=  /usr/lib/gcc/x86_64-pc-cygwin/11/libgomp.dll.a
+OBJECTS_ARCHITECTURE = machine_gfortran.o
 </file>
-Save as “Cygwin-i686-gfortran.sopt” on cp2k-2.x.x/arch directory as similar to other ARCH files.\\
-Launch the Cygwin Terminal (Cygwin bash) and change the working directory to cp2k-2.x.x/makefiles directory. Type make command as follows:\\
+Save the arch file in the ARCH directory with the name e.g. "Cygwin-x86_64-gfortran.ssmp"\\
+Prepare three nested empty destination directories ("obj/Cygwin-x86_64-gfortran/ssmp/" for the example) in the cp2k root before starting build.\\
+Put some required FORTRAN modules in the inner-most ssmp directory in advance.\\
+These are:\\
+  *libint-v2.6.0-cp2k-lmax-7/fortran/libint_f.mod
+  *libxc-5.1.0/src/xc_f03_lib_m.mod
+  *libxc-5.1.0/src/xc_f90_lib_m.mod
+  *sirius-7.3.0/build/src/mod_files/sirius.mod
+  *pexsi_v1.2.0/build/include/f_ppexsi_interface.mod
+  *QUIP-b4336484fb65b0e73211a8f920ae4361c7c353fd/build/linux_x86_64_gfortran/quip_unified_wrapper_module.mod\\
+Execute the "make" commands on the root directory of cp2k on the Cygwin terminal:\\
 <code>
-make ARCH=Cygwin-i686-gfortran VERSION=sopt
+$ make ARCH=Cygwin-x86_64-gfortran VERSION=ssmp
 </code>
-It may take 1 or 2 hours until a compilation is completed.\\
-If you find cp2k.sopt in cp2k-2.x.x/exe directory, the compilation is successfully done.
-===== 4.Installation CP2K on Windows PC which not installed Cygwin =====
+When the "make" successfully completed, cp2k.ssmp and other binaries have been generated in "(cp2k-root)/exe/Cygwin-x86_64-gfortran/ssmp/".
-By using either cygcheck command or an executable parser such as  [[http://www.dependencywalker.com|Dependency Walker (depends.exe)]], you can find DLLs where the built cp2k.sopt depends on.\\
-The following six DLLs are maybe necessary and sufficient to run the cp2k.sopt without Cygwin installation, but it may differ on your system.(Windows system modules are unnecessary here)\\
+=====5 Install CP2K on a Windows PC which are not installed Cygwin=====
-  *cygwin\lib\lapack\cygblas-0.dll
-  *cygwin\bin\cygwin1.dll
+====5a The file placement====
-  *cygwin\bin\cyggfortran-3.dll
+Prepare a empty directory named "cp2k-(version string or a unique string to descriminate your build)" on which you wish to install the cp2k executable binaries. \\
-  *cygwin\bin\cygquadmath-0.dll
-  *cygwin\bin\cyggcc_s-1.dll
+Prepare five empty directories, "bin", "dev", "home", "lib" and "share" in the cp2k directory.\\
-  *cygwin\lib\lapack\cyglapack-0.dll
-Copy these DLLs (except Windows system DLLs) to the cp2k.sopt directory.(Consequently these DLLs and cp2k.sopt are located on a same directory.)\\
+Copy cp2k binaries which were generated in "(cp2k-root)/exe/Cygwin-x86_64-gfortran/ssmp/" into the "bin" directory.\\
-Pressing SHIFT key right-click cp2k.sopt directory icon and select “Open Command Window Here” menu.\\
+Copy other DLLs in "(cygwin-root)/bin","(cygwin-root)/usr/local/bin", "(cygwin-root)/usr/local/lib" or your build directory, on which cp2k binaries depend, into the "bin" directory.\\
-And you type on the command prompt:
-<code> > cp2k.sopt --version</code>
+The dependent DLLs will vary depending on which libraries you use.
-Then you might see:
+You can parse the dependencies by using either cygcheck command or an executable parser such as  [[http://www.dependencywalker.com|Dependency Walker (depends.exe)]].\\
+The following is an example of dependent DLLs with all options:\\
 <code>
-CP2K version 2.X
+(cygwin-root)/bin/cygaec-0.dll
-SVN source code revision svn:XXXXX
+(cygwin-root)/lib/lapack/cygblas-0.dll
+(cygwin-root)/bin/cygevent-2-1-7.dll
+(cygwin-root)/bin/cygevent_core-2-1-7.dll
+(cygwin-root)/bin/cygevent_extra-2-1-7.dll
+(cygwin-root)/bin/cygevent_openssl-2-1-7.dll
+(cygwin-root)/bin/cygevent_pthreads-2-1-7.dll
+(cygwin-root)/bin/cygfftw3-3.dll
+(cygwin-root)/bin/cygfftw3f-3.dll
+(cygwin-root)/bin/cygfftw3f_omp-3.dll
+(cygwin-root)/bin/cygfftw3f_threads-3.dll
+(cygwin-root)/bin/cygfftw3l-3.dll
+(cygwin-root)/bin/cygfftw3l_omp-3.dll
+(cygwin-root)/bin/cygfftw3l_threads-3.dll
+(cygwin-root)/bin/cygfftw3_omp-3.dll
+(cygwin-root)/bin/cygfftw3_threads-3.dll
+(cygwin-root)/bin/cyggcc_s-seh-1.dll
+(cygwin-root)/bin/cyggfortran-4.dll
+(cygwin-root)/bin/cyggfortran-5.dll
+(cygwin-root)/bin/cyggomp-1.dll
+(cygwin-root)/usr/local/bin/cyggsl-25.dll
+(cygwin-root)/usr/local/bin/cyggslcblas-0.dll
+(cygwin-root)/bin/cyghdf5-200.dll
+(cygwin-root)/bin/cyghwloc-15.dll
+(cygwin-root)/bin/cygiconv-2.dll
+(cygwin-root)/lib/lapack/cyglapack-0.dll
+(cygwin-root)/bin/cyglzma-5.dll
+(cygwin-root)/bin/cygmpi-40.dll
+(cygwin-root)/bin/cygmpi_mpifh-40.dll
+(cygwin-root)/bin/cygopen-pal-40.dll
+(cygwin-root)/bin/cygopen-rte-40.dll
+(cygwin-root)/bin/cygOpenCL-1.dll
+(cygwin-root)/bin/cygquadmath-0.dll
+(cygwin-root)/home/(username)/SIRIUS-7.3.0/build/src/cygsirius.dll
+(cygwin-root)/usr/local/lib/cygspfft-1.dll
+(cygwin-root)/usr/local/lib/cygspla-1.dll
+(cygwin-root)/bin/cygstdc++-6.dll
+(cygwin-root)/usr/local/bin/cygsymspg-1.dll
+(cygwin-root)/bin/cygsz-2.dll
+(cygwin-root)/bin/cygwin1.dll
+(cygwin-root)/bin/cygxml2-2.dll
+(cygwin-root)/bin/cygz.dll
 </code>
-Congratulations! You got a hold of CP2K run on Windows.
+Copy also the opemmpi executables into the "bin".\\
+<code>
+(cygwin-root)/bin/ompi_info.exe
+(cygwin-root)/bin/opal_wrapper.exe
+(cygwin-root)/bin/orte-clean.exe
+(cygwin-root)/bin/orte-info.exe
+(cygwin-root)/bin/orte-server.exe
+(cygwin-root)/bin/orted.exe
+(cygwin-root)/bin/orterun.exe
+</code>
+Prepare an empty directory named "shm" in "dev" to avoid an warnning on running sirius calculation.\\
+Copy the cp2k data directory into the inside of "home" as similar manner as Cygwin directory structure when you built cp2k.\\
+For example, if you built cp2k in "(cygwin-root)/home/(user-name)/cp2k-2022.1", prepare two nested directories "(user-name)/cp2k-2022.1" in the "home" directory, put the data directory in the inner-most "cp2k-2022.1" directory.\\
+Prepare a empty directory named "openmpi" in the "lib" directory and
+copy "(cygwin-root)/lib/openmpi/cygompi_dbg_msgq.dll" into the "lib/openmpi/" directory.\\
+Copy openmpi help files (the folder and the all contents of (cygwin-root)/share/openmpi) in "share" directory.\\
+====5b A batch script file====
+Prepare a batch script to launch the cp2k calculations in the upper directory of the "bin", "dev", "home", "lib" and "share" directories.\\
+<file>
+@echo off
+set ORGPATH=%PATH%
+set PATH=%PATH%;%CD%\bin
+set OPAL_PREFIX=%CD%
+set PMIX_MCA_gds=hash
+cp2k.ssmp %*
+set PATH=%ORGPATH%
+set OPAL_PREFIX=
+set PMIX_MCA_gds=
+</file>
+The statement "set ORGPATH=%PATH%" stores the current "path to executables" (the "PATH" environmental variable).\\
+The statement "set PATH=%PATH%;%CD%\bin" adds the path to cp2k executables to the "PATH" environment.\\
+The statement "OPAL_PREFIX=%CD%" sets temporarily the openmpi directory to the current cp2k directory.\\
+The statement "set PMIX_MCA_gds=hash" avoids errors for some versions of opemmpi.\\
+The statement "cp2k.ssmp %*" recieve the arguments and pass them to the cp2k.ssmp.\\
+The set statements after "cp2k.ssmp %*" line restore the original settings.\\
+For details on openmpi environmental variables, please refer to:
+[[https://www.open-mpi.org/faq/?category=building#installdirs|39. Can I re-locate my Open MPI installation without re-configuring/re-compiling/re-installing from source?]]\\
+Save the script as the name "startcp2k.bat".\\
+====5c A quick test====
+Open the folder which contains startcp2k.bat and "bin", "dev", "home", "lib" and "share" directories on Windows explorer.
+Enter "cmd" in the address bar and press a return key to open the command prompt.\\
+On the command prompt, execute the following command:\\
+<code>
+$ startcp2k --version
+</code>
+Then you might see:\\
+<code>
+ CP2K version 2022.1
+ Source code revision git:2caeb6f
+ cp2kflags: omp libint fftw3 libxc pexsi quip xsmm spglib sirius libvori libbqb
+ compiler: GCC version 11.3.0
+ compiler options:
+   -cpp -I /usr/include -I /usr/local/include -I /home/username/libint-v2.
+.0-cp2k-lmax-7/include -I /usr/local/sirius/include -I /home/username/
+   pexsi_v1.2.0-openmpi-4.1.2/fortran -I /home/user/cp2k-2022.1/src/sta
+   rt/ -I /home/user/cp2k-2022.1/obj/Cygwin-x86_64-gfortran-pexsi/ssmp/
+   exts/dbcsr -I /usr/include -I /usr/lib -idirafter /usr/lib/gcc/x86_6
+-pc-cygwin/11/../../../../lib/../include/w32api -idirafter /usr/lib
+   /gcc/x86_64-pc-cygwin/11/../../../../x86_64-pc-cygwin/lib/../lib/../
+   ../include/w32api -D __GFORTRAN -D __FFTW3 -D __LIBINT -D __LIBXC -D
+    __SPGLIB -D __SIRIUS -D __LIBVDWXC -D __LIBXSMM -D __LIBPEXSI -D __
+   QUIP -D __LIBVORI -D __COMPILE_ARCH="Cygwin-x86_64-gfortran-pexsi" -
+   D __COMPILE_DATE="Sun Aug 14 21:16:53 JST 2022" -D __COMPILE_HOST="D
+   ESKTOP-2FK7NUA" -D __COMPILE_REVISION="git:2caeb6f" -D __DATA_DIR="/
+   home/user/cp2k-2022.1/data" -D __SHORT_FILE__="start/cp2k.F" -march=
+   skylake -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2
+    -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mno-avx512f -mbmi
+    -mbmi2 -mno-aes -mpclmul -mno-avx512vl -mno-avx512bw -mno-avx512dq
+   -mno-avx512cd -mno-avx512er -mno-avx512pf -mno-avx512vbmi -mno-avx51
+ifma -mno-avx5124vnniw -mno-avx5124fmaps -mno-avx512vpopcntdq -mno-
+   avx512vbmi2 -mno-gfni -mno-vpclmulqdq -mno-avx512vnni -mno-avx512bit
+   alg -mno-avx512bf16 -mno-avx512vp2intersect -mno-3dnow -madx -mabm -
+   mno-cldemote -mclflushopt -mno-clwb -mno-clzero -mcx16 -mno-enqcmd -
+   mf16c -mfsgsbase -mfxsr -mno-hle -msahf -mno-lwp -mlzcnt -mmovbe -mn
+   o-movdir64b -mno-movdiri -mno-mwaitx -mno-pconfig -mno-pku -mno-pref
+   etchwt1 -mprfchw -mno-ptwrite -mno-rdpid -mrdrnd -mrdseed -mno-rtm -
+   mno-serialize -msgx -mno-sha -mno-shstk -mno-tbm -mno-tsxldtrk -mno-
+   vaes -mno-waitpkg -mno-wbnoinvd -mxsave -mxsavec -mxsaveopt -mxsaves
+    -mno-amx-tile -mno-amx-int8 -mno-amx-bf16 -mno-uintr -mno-hreset -m
+   no-kl -mno-widekl -mno-avxvnni --param=l1-cache-size=32 --param=l1-c
+   ache-line-size=64 --param=l2-cache-size=9216 -mtune=skylake -g -O2 -
+   std=f2008 -ffree-form -ffree-line-length-none -fno-omit-frame-pointe
+   r -fbacktrace -fopenmp -fopenmp-simd -funroll-loops -ftree-vectorize
+</code>
+Congratulations! You got a hold of CP2K run on Windows.\\