Hi Loris, I don’t know for sure but I would guess that this could be linked with the toolchain opts where you usually specify if mpi is used or not which in turn would opt for versions of cp2k with or without mpi-support.
Best regards, Andreas > Am 17.06.2019 um 16:23 schrieb Loris Bennett <[email protected]>: > > Hi, > > A user of mine has asked about the psmp binary of CP2K. The easyconfig > CP2K-6.1-intel-2018a.eb, which I used, only builds the popt version. It > seems there has been interest in psmp for some past versions: > > * $CFGS1/c/CP2K/CP2K-3.0-intel-2016a.eb > * $CFGS1/c/CP2K/CP2K-3.0-intel-2016b-psmp.eb > * $CFGS1/c/CP2K/CP2K-3.0-intel-2016b.eb > * $CFGS1/c/CP2K/CP2K-3.0-intel-2017b.eb > * $CFGS1/c/CP2K/CP2K-3.0-intel-2018a.eb > * $CFGS1/c/CP2K/CP2K-4.1-foss-2016b-psmp.eb > * $CFGS1/c/CP2K/CP2K-4.1-intel-2016b.eb > * $CFGS1/c/CP2K/CP2K-5.1-foss-2018a.eb > * $CFGS1/c/CP2K/CP2K-5.1-intel-2017b.eb > * $CFGS1/c/CP2K/CP2K-5.1-intel-2018a.eb > * $CFGS1/c/CP2K/CP2K-6.1-foss-2019a.eb > * $CFGS1/c/CP2K/CP2K-6.1-intel-2018a.eb > > Is there any particular reason why the buildopts don't just specify, say, > > VERSION="sopt popt ssmp psmp" > > ? > > Cheers, > > Loris > > -- > Dr. Loris Bennett (Mr.) > ZEDAT, Freie Universität Berlin Email [email protected]
