I think Åke is right from looking at https://groups.google.com/g/cp2k/c/H7K8vR3vEto . You probably need that flag to trigger the linking to the fftw3_threads library.
On Tue, 5 Oct 2021 at 09:16, Åke Sandgren <[email protected]<mailto:[email protected]>> wrote: You do know that there is a CP2K-7.1-foss-2020b-psmp.eb available already? that one also have toolchainopts openmp=true On 10/5/21 8:58 AM, Loris Bennett wrote: > Hi, > > I am trying to build CP2K 7.1 via > > CP2K-7.1-foss-2020b.eb > > whereby we use the following in a hook > > # Build PSMP variant of CP2K > ################################################## > > if self.name<http://self.name> == 'CP2K': > self.cfg['type'] = 'psmp' > self.log.info<http://self.log.info>("[pre-configure hook] Added type > =\"=psmp\"") > return > > I get the following error: > > > /trinity/shared/easybuild/build/CP2K/7.1/foss-2020b/cp2k-7.1/lib/Linux-x86-64-foss/psmp/libcp2kfft.a(fftw3_lib.o):fftw3_lib.F90:function > __fftw3_lib_MOD_fftw3_create_plan_3d: error: undefined reference to > 'dfftw_plan_with_nthreads_' > > Any ideas what might be causing this? > > Cheers, > > Loris > -- Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden Internet: [email protected]<mailto:[email protected]> Phone: +46 90 7866134 Fax: +46 90-580 14 Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se -- Dr. Alan O'Cais E-CAM Software Manager Juelich Supercomputing Centre Forschungszentrum Juelich GmbH 52425 Juelich, Germany Phone: +49 2461 61 5213 Fax: +49 2461 61 6656 E-mail: [email protected]<mailto:[email protected]> WWW: http://www.fz-juelich.de/ias/jsc/EN ------------------------------------------------------------------------------------------------ ------------------------------------------------------------------------------------------------ Forschungszentrum Juelich GmbH 52425 Juelich Sitz der Gesellschaft: Juelich Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498 Vorsitzender des Aufsichtsrats: MinDir Volker Rieke Geschaeftsfuehrung: Prof. Dr.-Ing. Wolfgang Marquardt (Vorsitzender), Karsten Beneke (stellv. Vorsitzender), Dr. Astrid Lambrecht, Prof. Dr. Frauke Melchior ------------------------------------------------------------------------------------------------ ------------------------------------------------------------------------------------------------
