Missing shared library of some mvapich2 modules

Updates on Feb 25 2022:

This issue is fixed. 

Original Post:

Users may see an issue of missing shared library with some mvapich2 modules on Pitzer and Owens. The error is like

<path_to_executable>: error while loading shared libraries: libim_client.so.0: cannot open shared object file: No such file or directory

We are in the process of rebuilding mvapich2 versions that are affected. 

CP2K 6.1 would fail on Pitzer Cascade Lakes (48-core) node:

CP2K 6.1 would fail with the following error when running on Pitzer Cascade Lakes (48-core) node:

Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation.

Backtrace for this error:

Thid could be a bug in libxsmm 1.9.0 which is released on Mar 15, 2018 (Cascade Lake is launched in 2019). The bug has been fixed in cp2k/7.1.


MVAPICH2 build of CP2K 6.1

We have found some types of CP2K jobs would fail or have poor performance using cp2k.popt and cp2k.psmp from MVAPICH2 build (gnu/4.8.5 mvapich2/2.3). This version will be removed on December 15th, 2020. Please switch to Intel MPI build (gnu/7.3.0 intelmpi/2018.3).