This release offers the CP2K 2025.1 binary for 64-bit Windows (x64) to perform serial calculation.
(Sorry! 32-bit Windows are not supported)
The binaries in this release was built with:
gcc(gfortran) 12.4.0
ninja 1.12.0
openmpi 4.1.6
openblas 0.3.28
fftw 3.3.10
libint 2.6.0
libxc 7.0.0
gsl 2.8
quip 0.9.10
hdf5 1.14.5
libvdwxc 0.4.0
libvori 220621
libspglib 2.5.0
libgrpp 20231225
spfft 1.1.0
spla 1.6.1
dftd4 3.6.0
trexio 2.5.0
The arch file "Cygwin-x86_64-gfortran.ssmp(for 2025.1) is used (Remove the bracket part from the file name when you use the arch).
Installation
Download and unzip "cp2k-2025.1.x64.zip". Locate the generated "cp2k-2025.1.x64" folder (~1.32 GB) on anywhere in your Windows PC storage.
How to use
Prepare your cp2k input file.
Put the input file in the cp2k-2025.1.x64 directory.
Enter “cmd” in the address bar of cp2k-2025.1.x64 directory and press a return key to open the command prompt.
Type "startcp2k -i <your_input_filename> -o <your_specified_output_filename>" and press enter to run your input on the cp2k.
The "startcp2k" receives the all arguments of cp2k.ssmp executable (--help, --version, etc).
Notice
This binary works on 64-bit Windows 11, does not work on 32 bit archtechture anymore.
Some libraries (like Pexsi, Sirius, etc) requires a mpi library but parallel build on Cygwin seems to be somehow problematic.
Another way to build cp2k in parallel on Windows is to build on WSL(Windows Subsystem for Linux) . But cp2k built on WSL have neither of DOS or PE signature (i.e. they are NOT Windows modules).In this case I can NOT distribute the binaries as I have done so far.