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Issue with the arch file of CP2K about xconfigure HOT 5 CLOSED

hfp avatar hfp commented on May 29, 2024
Issue with the arch file of CP2K

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Comments (5)

hfp avatar hfp commented on May 29, 2024

Is this with CP2K master?

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highlight0112 avatar highlight0112 commented on May 29, 2024

Yes, this may be caused by the dbcsr's directory moving from src/ to exts/, I think.

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hfp avatar hfp commented on May 29, 2024

This issue is resolved with today's Linux-x86-64-intelx.* files. It has been tested with both Intel Compiler and GNU Compiler Collection (see below).

make ARCH=Linux-x86-64-intelx VERSION=psmp \
  ELPAROOT=~/elpa/default-skx-omp \
  LIBINTROOT=~/libint/default-skx \
  LIBXCROOT=~/libxc/default-skx

make ARCH=Linux-x86-64-intelx VERSION=psmp \
  ELPAROOT=~/elpa/gnu-skx-omp \
  LIBINTROOT=~/libint/gnu-skx \
  LIBXCROOT=~/libxc/gnu-skx \
  GNU=1

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hfp avatar hfp commented on May 29, 2024

As implied by "today's Linux-x86-64-intelx.* files", the fix requires to update to today's revision of the fork or alternatively to get only the ARCH-files.

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hfp avatar hfp commented on May 29, 2024

Please feel free to reopen the issue if you still encounter a problem.

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