[CP2K-user] [CP2K:15322] CP2K 8.1 on UBUNTU 20.04 with OpenMPI 3.1.6

[Tiziano Müller]

Hi Dirk,

ok, it seems like a parallel build error, although we have support 
parallel builds for ages. Can you see whether changing the call to

   make -j ARCH=local VERSION="pdbg ssmp psmp sdbg"

or only running

     make -j ARCH=local VERSION="psmp"

works?

As per the release notes we do not support `popt` and `sopt` builds 
anymore, meaning that OpenMP is now a hard-dependency. For backwards 
compatibility we provide a symlink `cp2k.popt -> cp2k.psmp` and 
`cp2k.sopt -> cp2k.ssmp`, such that when calling a `cp2k.psmp` via a 
symlink `cp2k.popt` it will internally set `OMP_NUM_THREADS=1`.

Best,
Tiziano

On 5/10/21 1:27 PM, Dirk Buddensiek wrote:
> Hi Tiziano,
> please find enclosed the make-log.
> Kind regards
> Dirk
> 
> 
> 
> Dr. Dirk Buddensiek
> [PCM²] Project & Change Management
>   
>   
> Telephone: +49 (0) 40 528 77 891
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> -----Ursprüngliche Nachricht-----
> Von: cp... at googlegroups.com <cp... at googlegroups.com> Im Auftrag von Tiziano Müller
> Gesendet: Montag, 10. Mai 2021 11:57
> An: cp... at googlegroups.com
> Betreff: Re: [CP2K:15321] CP2K 8.1 on UBUNTU 20.04 with OpenMPI 3.1.6
> 
> Hi Dirk,
> 
> without a full build log one can only speculate.
> The output generated by the following should give more insight:
> 
>     make -j ARCH=local VERSION="pdbg popt sopt ssmp psmp sdbg" |& tee build.out
> 
> Best,
> Tiziano
> 
> On 5/10/21 11:33 AM, Dirk Buddensiek wrote:
>> Dear all,
>>
>> got a problem when building CP2K 8.1 on an UBUNTU workstation using
>> OPenMPI 3.1.6. No parallel build was performed. Got only the
>> ssmp-exe/sdbg-exe. Interestingly the build in a cluster environment
>> using OPenMPI 3.1.4 finished successfully (CP2K.popt, CP2K.psmp)
>>
>> Would be fine to get any idea what could be the reason. (make command:
>> make -j ARCH=local VERSION=“pdbg popt sopt ssmp psmp sdbg“)
>>
>> Kind regards
>>
>> Dirk
>>
>> PS: A former build of CP2K-6.1 on the same workstation (UBUNTU 18.04)
>> run successfully. CP2K.popt and psmp have been build.
>>
>> *Dr. Dirk Buddensiek*
>>
>> [PCM²] Project & Change Management
>>
>> Telephone: +49 (0) 40 528 77 891
>> Mobile: +49 172 45 00 348
>> Voice mail/Fax: +49 (0)3222 240 740 8
>> E-mail: Dirk.Bu... at pc-m2.com <mailto:Dirk.Bu... at pc-m2.com>
>> Web: www.pc-m2.com <http://www.pc-m2.com/>
>>
>> /Please note: The information contained in this message may be legally
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>> reader of this message is not the intended recipient, you are hereby
>> notified that any unauthorised use, distribution or copying of this
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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
> tiziano... at chem.uzh.ch
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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
tiziano... at chem.uzh.ch