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CPMD installation issue #14

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gayatripanda5 opened this issue Apr 1, 2023 · 3 comments
Open

CPMD installation issue #14

gayatripanda5 opened this issue Apr 1, 2023 · 3 comments

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@gayatripanda5
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Hi,
I am facing this error while installing CPMD-
"gfortran: error: /storage3/gayatrip/CPMD/modules/Gromos/coordsz.mod.F90: No such file or directory"
Could you please guide me how to resolve this issue?
@gayatripanda5
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After running make command, I am getting this error
image

@kloeffelt
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@gayatripanda5
The gromos interface was not published by IBM. You have to get it from other sources if you like to use it.
The seoncd message is quite clear, gfortran truncates the lane after some specific number of characters, this line is too long for gfortran. Please look at the gfortran docu how to disable this warning.

@kloeffelt kloeffelt mentioned this issue Apr 5, 2023
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@gayatripanda5
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Thanks for your response. I have copied all Gromos files to the Gromos directory. Using these files, an older version of CP2K was installed earlier, but now I am unable to install the recent version. The mod.F90 files are not available in the Gromos tar shared.

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@kloeffelt @gayatripanda5