[CP2K-user] [CP2K:14628] cp2k macOS Big Sur Installation Error

[Bensen Hsu]

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

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

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.

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!
> > 
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> > <
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> >.
>
> -- 
> Tiziano Müller
> University of Zurich
> Department of Chemistry
> Winterthurerstrasse 190
> CH-8057 Zürich
>
> Tel: +41 44 63 54234
> www.chem.uzh.ch
> tiz... at chem.uzh.ch
>
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