[CP2K-user] Compiling cp2k.psmp for 6.1

Espen Tangen espen... at gmail.com
Mon May 13 10:50:16 UTC 2019


Found out about it myself; the obvious solution is to drop the compile line 
and just call do_regtest manually with the following settings:

>From makefiles folder:

cd ../regtesting/Linux-x86-64-intel/psmp/

../../../tools/regtesting/do_regtest -nosvn -arch Linux-x86-64-intel 
-version psmp -nobuild -cp2kdir ../../.. $(TESTOPTS)


Et.

mandag 29. april 2019 14.48.09 UTC+2 skrev Espen Tangen følgende:
>
> Hi all. I am trying to compile cp2k.psmp for 6.1 so that it makes the 
> tests, currently I have not been very sucessfull. Command make -j 16 
> ARCH=Linux--x86-64-intel VERSION=psmp test fails with this type error:
>
> cp2k-6.1_18b/src/qs_vxc_atom.F(11): error #7002: Error in opening the 
> compiled module file.  Check INCLUDE paths.   [ATOMIC_KIND_TYPES]
>
>    USE atomic_kind_types,               ONLY: atomic_kind_type,&
>
>
>
> What am I missing here?
>
>
> Regards
>
>
> Et.
>
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