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

Dirk Buddensiek Dirk.Bu... at pc-m2.com
Mon May 10 09:33:56 UTC 2021

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

[cid:image001.png at 01D74590.5B4673F0]

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

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