Hi Victor
The binary graph.<VERSION> is created by default when CP2K is built. So, you should find it after a successful CP2K build in the folder cp2k/exe/<ARCH>/ where also the cp2k binary is stored. You can create it selectively via the make target “fes”, e.g. by “make ARCH=… VERSION=… fes”.
HTH
Matthias
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Dear Victor
Try just
make ARCH=Linux-x86-64-gfortran VERSION=sopt fes
HTH
Matthias
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That should work, Victor. No clue, why it doesn’t create graph.<VERSION>.
Do you have any file in exe/Linux…/ ?
Does
make ARCH=Linux-x86-64-gfortran VERSION=sopt
execlean
make ARCH=Linux-x86-64-gfortran VERSION=sopt fes
trigger any compiler/linker output?
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Dear Victor
Did you consider instead of installing and using CP2K with Cygwin to use a Windows Subsystem for Linux (WSL) as suggested?
Best
Matthias
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Dear Victor
I just created a small howto for the installation of CP2K under Windows using the Windows System for Linux (WSL).
I will check this evening that howto on my old Win10 office PC at home, but any other tests are appreciated. I am pretty sure that there are at least some typos. This should also provide the “fes” (graph.ssmp) tool under Windows.
HTH
Matthias
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make -j ARCH=local VERSION=ssmp
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make -j ARCH=local VERSION=ssmp
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Dear Victor
Thanks for testing.
After running
make -j ARCH=local VERSION=ssmp
in “~/github/cp2k/cp2k/”
there should already be a “graph.ssmp” binary
in “~/github/cp2k/cp2k/exe/local/”
Is that the case and can you run
~/github/cp2k/cp2k/exe/local/cp2k.ssmp -v
and/or
~/github/cp2k/cp2k/exe/local/graph.ssmp
?
Matthias
.
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Dear Victor
I am glad that you could finally get graph work on your local Windows PC.
I have further extended the How to Compile CP2K on Windows with the instructions to build also an MPI/OpenMP parallel CP2K (psmp) binary under Windows and with some further information and hints. The cp2k.psmp binary will provide better performance in case you have a larger number of CPU cores (more than 4) available.
Best
Matthias
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Dear Victor
Thanks for the feedback.
I did not need a PowerShell for the WSL installation. No clue, if it is used In the background, because it is installed.
Anyway, I just clicked in the browser on the install button shown in the Microsoft Store for the App Ubuntu 22.04.2 LTS and a terminal window opens requesting username and password, done. That’s as easy as installing an App on the Smartphone. For convenience, I pinned that App also to the task bar by dragging the icon there.
Best
Matthias
.
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Dear Victor
Best
Matthias
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