CP2K 8.1 for Windows (x86)

This Release offers the CP2K 8.1 binary for 32-bit Windows (x86) to perform serial calculation.

The binaries in this release was built with:
gcc (gfortran) 10.2.0
fftw3 3.3.8
openmpi 4.0.5
openssh 8.4p-1.2
libxc 4.3.4
libint 2.6.0 (lmax=4)
spglib 1.10.4
sirius 7.0.2
quip 357e28d155e14198ab950f7b440c22f4f8ab7852
pexsi 1.2.0
scotch 6.0.0
parmetis 4.0.3
superLU_DIST 6.1.0
libvori 201229

The arch file "Cygwin-i686-gfortran-FFTW3-LIBINT2-SIRIUS-PEXSI.ssmp" is used.
After building, cp2k.ssmp was editted on Microsoft Visual Studio Tools "editbin" to stack size 4,194,304 bytes,
which is twice of the default size, with the command "editbin cp2k.ssmp /STACK:0x400000".
This may be same as adding "-Wl,--stack,4194304" to FCFLAGS in the arch file and doing make.

Installation
Download and unzip "cp2k-8.1.x86.zip". Locate the generated "cp2k-8.1(x86)" folder on anywhere in your Windows PC storage.

How to use

1. Prepare your cp2k input file.
2. Put the input file in the cp2k-8.1(x86) directory.
3. Launch a Windows command prompt. That is, press "Windows" + "R" keys to open "Run" Box.
   Type "cmd" and click "OK" to open.
4. Change the currnet directory to the cp2k-8.1 directory with "cd" command.
5. 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.sopt executable (--help, --version, etc).

Notice

1. This binary has been made sure that works on 32/64-bit Windows 10. This does not work on Windows XP anymore.
2. Although the binary was build on a 32-bit(x86) architecure, it is recommended to run on a 64-bit Windows with implicit WOW64 to avoid memory allocation errors (which are found for, for example, inputs in tests/QS/regtest-pexsi).