[CP2K-user] [CP2K:19069] graph compilation

[Krack Matthias]

Dear Victor

Try just

make ARCH=Linux-x86-64-gfortran VERSION=sopt fes

HTH

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Victor Volkov <volkovskr at gmail.com>
Date: Thursday, 6 July 2023 at 18:46
To: cp2k at googlegroups.com <cp2k at googlegroups.com>
Subject: Re: [CP2K:19069] graph compilation
Dear Matthias:
good evening.
Sorry to bother in the graph compilation.

Having the CP2K response, as I copy below,
what should I add to the arch file
...
or something else?
Thank you.

Best,
Victor

$ make fes.sopt ARCH=Linux-x86-64-gfortran VERSION=sopt
Discovering programs ...
make: *** No rule to make target 'fes.sopt'.  Stop.

On Wed, Jun 28, 2023 at 10:22 AM Krack Matthias <matthias.krack at psi.ch<mailto:matthias.krack at psi.ch>> wrote:
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

From: cp2k at googlegroups.com<mailto:cp2k at googlegroups.com> <cp2k at googlegroups.com<mailto:cp2k at googlegroups.com>> on behalf of Victor Volkov <volkovskr at gmail.com<mailto:volkovskr at gmail.com>>
Date: Tuesday, 27 June 2023 at 21:14
To: cp2k <cp2k at googlegroups.com<mailto:cp2k at googlegroups.com>>
Subject: [CP2K:18999] graph compilation
Dear developers:
sorry to bother.

CP2K instructs that graph.sopt should be compiled on its own.
I found three F-files on git, and copied them
and placed into created graph directory.

When I tried to use gfortran, it started but with errors: please, see below.
If possible, would you hint how to compile this tool?

I run under both, Cygwin and WLS-Ubuntu.

Thank you.
Victor

 gfortran graph.f -o graph.sopt
graph.f:18:1:
 PROGRAM graph
 1
Error: Non-numeric character in statement label at (1)
graph.f:18:1:
 PROGRAM graph
 1
Error: Unclassifiable statement at (1)

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