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

[Bensen Hsu]

Hi Tiziano,

Below is the entire error message: (I think the build has finished, I tried 
it today but ended up with the same result)

(base) Bensens-MacBook-Pro:cp2k bensenhsu$ make ARCH=Darwin-gfortran 
VERSION=ssmp -j
Discovering programs ...
make -C /Users/bensenhsu/cp2k/exts/dbcsr -f .cp2k/Makefile \
   INCLUDEMAKE=/Users/bensenhsu/cp2k/arch/Darwin-gfortran.ssmp \
   LIBDIR=/Users/bensenhsu/cp2k/lib/Darwin-gfortran/ssmp/exts/dbcsr \
   OBJDIR=/Users/bensenhsu/cp2k/obj/Darwin-gfortran/ssmp/exts/dbcsr \
   ACC="" \
   ACCFLAGS=""
Removing stale archives for ssmp ... 
Removing stale archives ... 
Resolving dependencies for ssmp ... 
Resolving dependencies ... 
/usr/bin/env python3 
/Users/bensenhsu/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n 
/Users/bensenhsu/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_block.F 
dbcsr_tensor_block.F90
gfortran -c -I  -I  -fopenmp -funroll-loops -ftree-vectorize -ffree-form 
-O2 -D__NO_STATM_ACCESS -D__ACCELERATE -D__LIBXC -D__LIBINT 
-D__SHORT_FILE__="\"dbcsr_tensor_block.F\"" 
-I'/Users/bensenhsu/cp2k/exts/dbcsr/src/tensors/' 
-I'/Users/bensenhsu/cp2k/exts/dbcsr/src' dbcsr_tensor_block.F90 
Warning: Nonexistent include directory "-I"
f951(38553,0x14ba89e00) malloc: *** error for object 0x1413a5e70: pointer 
being freed was not allocated
f951(38553,0x14ba89e00) malloc: *** set a breakpoint in malloc_error_break 
to debug
f951: internal compiler error: Abort trap: 6
libbacktrace could not find executable to open
Please submit a full bug report,
with preprocessed source if appropriate.
See <http://gcc.gnu.org/bugs.html> for instructions.
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[2]: *** Waiting for unfinished jobs....
make[1]: *** [/Users/bensenhsu/cp2k/Makefile:126: ssmp] Error 2
make: *** [Makefile:121: all] Error 2

Best,
Bensen

On Monday, 25 January 2021 at 21:02:36 UTC+8 tiz... at chem.uzh.ch wrote:

> 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!
> > >
> > > --
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> > 
> 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
> > 
> > -- 
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> > 
> 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
> tiz... at chem.uzh.ch
>
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