[CP2K-user] [CP2K:14633] cp2k macOS Big Sur Installation Error

[Tiziano Müller]

Hi Bensen,

On 1/23/21 4:10 PM, Bensen Hsu wrote:
> Hi Tiziano,
> 
> Very thankful for your kind reply! I tried 'make ARCH=Darwin-gfortran 
> VERSION=ssmp -j', it worked better than before, but still ended up with:
> 
> make[4]: *** [/Users/bensenhsu/cp2k/exts/dbcsr/.cp2k/Makefile:281: 
> dbcsr_tensor_block.o] Error 1
> make[3]: *** [.cp2k/Makefile:206: libdbcsr] Error 2
> make[2]: *** [/Users/bensenhsu/cp2k/exts/Makefile.inc:16: dbcsr] Error 2
> make[1]: *** [/Users/bensenhsu/cp2k/Makefile:126: ssmp] Error 2
> make: *** [Makefile:121: all] Error 2

Please attach the complete build log (especially the error message from 
the compiler).

> And I still didn't see the /cp2k.sopt/ in /cp2k/exe/ directory.

That's because the build didn't finish.

> BTW. What do you mean by "building without OpenMP (`sopt`) is deprecated 
> and an alias for running CP2K with `OMP_NUM_THREADS=1`"? I don't quite 
> understand, very sorry.

Previously you used VERSION=sopt. "sopt", which would mean single threaded.

Best,
Tiziano

> 
> Best,
> Bensen
> On Saturday, 23 January 2021 at 21:21:19 UTC+8 tiz... at chem.uzh.ch wrote:
> 
>     Hi Bensen,
> 
>     the arch files for macOS has been recently renamed to
>     Darwin-gfortran.*,
>     so you need `make ARCH=Darwin-gfortran VERSION=ssmp -j`
>     ... please also note that building without OpenMP (`sopt`) is
>     deprecated
>     and an alias for running CP2K with `OMP_NUM_THREADS=1`.
> 
>     Best,
>     Tiziano
> 
>     On 1/23/21 8:54 AM, Bensen Hsu wrote:
>      > Is there anyone who also uses macOS came across the below problem
>     during
>      > first time installation?
>      >
>      > (base) Bensens-MacBook-Pro:cp2k bensenhsu$ *make
>      > ARCH=Darwin-IntelMacintosh-gfortran VERSION=sopt*
>      > Discovering programs ...
>      > Version sopt is now an alias for ssmp with OMP_NUM_THREADS=1.
>      > /Users/bensenhsu/cp2k/Makefile:51:
>      > /Users/bensenhsu/cp2k/arch/Darwin-IntelMacintosh-gfortran.ssmp:
>     No such
>      > file or directory
>      > make[2]: *** No rule to make target
>      > '/Users/bensenhsu/cp2k/arch/Darwin-IntelMacintosh-gfortran.ssmp'.
>       Stop.
>      > make[1]: *** [/Users/bensenhsu/cp2k/Makefile:130: sopt] Error 2
>      > make: *** [Makefile:121: all] Error 2
>      >
>      > I'm new in this field, so I would like to hear from you. Drown me
>     with
>      > your advice!
>      >
>      > --
>      > You received this message because you are subscribed to the Google
>      > Groups "cp2k" group.
>      > To unsubscribe from this group and stop receiving emails from it,
>     send
>      > an email to cp... at googlegroups.com
>      > <mailto:cp... at googlegroups.com>.
>      > To view this discussion on the web visit
>      >
>     https://groups.google.com/d/msgid/cp2k/6e8b1eb9-f53b-4c4b-b8cc-91b7a602f65fn%40googlegroups.com
>     <https://groups.google.com/d/msgid/cp2k/6e8b1eb9-f53b-4c4b-b8cc-91b7a602f65fn%40googlegroups.com>
> 
>      >
>     <https://groups.google.com/d/msgid/cp2k/6e8b1eb9-f53b-4c4b-b8cc-91b7a602f65fn%40googlegroups.com?utm_medium=email&utm_source=footer
>     <https://groups.google.com/d/msgid/cp2k/6e8b1eb9-f53b-4c4b-b8cc-91b7a602f65fn%40googlegroups.com?utm_medium=email&utm_source=footer>>.
> 
> 
>     -- 
>     Tiziano Müller
>     University of Zurich
>     Department of Chemistry
>     Winterthurerstrasse 190
>     CH-8057 Zürich
> 
>     Tel: +41 44 63 54234
>     www.chem.uzh.ch <http://www.chem.uzh.ch>
>     tiz... at chem.uzh.ch
> 
> -- 
> You received this message because you are subscribed to the Google 
> Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send 
> an email to cp... at googlegroups.com 
> <mailto:cp... at googlegroups.com>.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/2345baa8-5a0f-448c-909a-ce21b615670en%40googlegroups.com 
> <https://groups.google.com/d/msgid/cp2k/2345baa8-5a0f-448c-909a-ce21b615670en%40googlegroups.com?utm_medium=email&utm_source=footer>.

-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch