<div>Hi Tiziano,</div><div><br></div><div>Below is the entire error message: (I think the build has finished, I tried it today but ended up with the same result)</div><div><br></div><div>(base) Bensens-MacBook-Pro:cp2k bensenhsu$ make ARCH=Darwin-gfortran VERSION=ssmp -j</div><div>Discovering programs ...</div><div>make -C /Users/bensenhsu/cp2k/exts/dbcsr -f .cp2k/Makefile \</div><div> INCLUDEMAKE=/Users/bensenhsu/cp2k/arch/Darwin-gfortran.ssmp \</div><div> LIBDIR=/Users/bensenhsu/cp2k/lib/Darwin-gfortran/ssmp/exts/dbcsr \</div><div> OBJDIR=/Users/bensenhsu/cp2k/obj/Darwin-gfortran/ssmp/exts/dbcsr \</div><div> ACC="" \</div><div> ACCFLAGS=""</div><div>Removing stale archives for ssmp ... </div><div>Removing stale archives ... </div><div>Resolving dependencies for ssmp ... </div><div>Resolving dependencies ... </div><div>/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</div><div>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 </div><div>Warning: Nonexistent include directory "-I"</div><div>f951(38553,0x14ba89e00) malloc: *** error for object 0x1413a5e70: pointer being freed was not allocated</div><div>f951(38553,0x14ba89e00) malloc: *** set a breakpoint in malloc_error_break to debug</div><div>f951: internal compiler error: Abort trap: 6</div><div>libbacktrace could not find executable to open</div><div>Please submit a full bug report,</div><div>with preprocessed source if appropriate.</div><div>See <http://gcc.gnu.org/bugs.html> for instructions.</div><div>make[4]: *** [/Users/bensenhsu/cp2k/exts/dbcsr/.cp2k/Makefile:281: dbcsr_tensor_block.o] Error 1</div><div>make[3]: *** [.cp2k/Makefile:206: libdbcsr] Error 2</div><div>make[2]: *** [/Users/bensenhsu/cp2k/exts/Makefile.inc:16: dbcsr] Error 2</div><div>make[2]: *** Waiting for unfinished jobs....</div><div>make[1]: *** [/Users/bensenhsu/cp2k/Makefile:126: ssmp] Error 2</div><div>make: *** [Makefile:121: all] Error 2</div><div><br></div><div>Best,</div><div>Bensen</div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, 25 January 2021 at 21:02:36 UTC+8 tiz...@chem.uzh.ch wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi Bensen,
<br>
<br>On 1/23/21 4:10 PM, Bensen Hsu wrote:
<br>> Hi Tiziano,
<br>>
<br>> Very thankful for your kind reply! I tried 'make ARCH=Darwin-gfortran
<br>> VERSION=ssmp -j', it worked better than before, but still ended up with:
<br>>
<br>> make[4]: *** [/Users/bensenhsu/cp2k/exts/dbcsr/.cp2k/Makefile:281:
<br>> dbcsr_tensor_block.o] Error 1
<br>> make[3]: *** [.cp2k/Makefile:206: libdbcsr] Error 2
<br>> make[2]: *** [/Users/bensenhsu/cp2k/exts/Makefile.inc:16: dbcsr] Error 2
<br>> make[1]: *** [/Users/bensenhsu/cp2k/Makefile:126: ssmp] Error 2
<br>> make: *** [Makefile:121: all] Error 2
<br>
<br>Please attach the complete build log (especially the error message from
<br>the compiler).
<br>
<br>> And I still didn't see the /cp2k.sopt/ in /cp2k/exe/ directory.
<br>
<br>That's because the build didn't finish.
<br>
<br>> BTW. What do you mean by "building without OpenMP (`sopt`) is deprecated
<br>> and an alias for running CP2K with `OMP_NUM_THREADS=1`"? I don't quite
<br>> understand, very sorry.
<br>
<br>Previously you used VERSION=sopt. "sopt", which would mean single threaded.
<br>
<br>Best,
<br>Tiziano
<br>
<br>>
<br>> Best,
<br>> Bensen
<br>> On Saturday, 23 January 2021 at 21:21:19 UTC+8 <a href data-email-masked rel="nofollow">tiz...@chem.uzh.ch</a> wrote:
<br>>
<br>> Hi Bensen,
<br>>
<br>> the arch files for macOS has been recently renamed to
<br>> Darwin-gfortran.*,
<br>> so you need `make ARCH=Darwin-gfortran VERSION=ssmp -j`
<br>> ... please also note that building without OpenMP (`sopt`) is
<br>> deprecated
<br>> and an alias for running CP2K with `OMP_NUM_THREADS=1`.
<br>>
<br>> Best,
<br>> Tiziano
<br>>
<br>> On 1/23/21 8:54 AM, Bensen Hsu wrote:
<br>> > Is there anyone who also uses macOS came across the below problem
<br>> during
<br>> > first time installation?
<br>> >
<br>> > (base) Bensens-MacBook-Pro:cp2k bensenhsu$ *make
<br>> > ARCH=Darwin-IntelMacintosh-gfortran VERSION=sopt*
<br>> > Discovering programs ...
<br>> > Version sopt is now an alias for ssmp with OMP_NUM_THREADS=1.
<br>> > /Users/bensenhsu/cp2k/Makefile:51:
<br>> > /Users/bensenhsu/cp2k/arch/Darwin-IntelMacintosh-gfortran.ssmp:
<br>> No such
<br>> > file or directory
<br>> > make[2]: *** No rule to make target
<br>> > '/Users/bensenhsu/cp2k/arch/Darwin-IntelMacintosh-gfortran.ssmp'.
<br>> Stop.
<br>> > make[1]: *** [/Users/bensenhsu/cp2k/Makefile:130: sopt] Error 2
<br>> > make: *** [Makefile:121: all] Error 2
<br>> >
<br>> > I'm new in this field, so I would like to hear from you. Drown me
<br>> with
<br>> > your advice!
<br>> >
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<br>>
<br>>
<br>> --
<br>> Tiziano Müller
<br>> University of Zurich
<br>> Department of Chemistry
<br>> Winterthurerstrasse 190
<br>> CH-8057 Zürich
<br>>
<br>> Tel: +41 44 63 54234
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<br>
<br>--
<br>Tiziano Müller
<br>University of Zurich
<br>Department of Chemistry
<br>Winterthurerstrasse 190
<br>CH-8057 Zürich
<br>
<br>Tel: +41 44 63 54234
<br><a href="http://www.chem.uzh.ch" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=http://www.chem.uzh.ch&source=gmail&ust=1611666323643000&usg=AFQjCNGWwwqaAZuPax2UFPvrWE2vaEeJIw">www.chem.uzh.ch</a>
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<br></blockquote></div>