Pitzer

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). 
 

OpenMPI job stopped at 'There are not enough slots available in the system to satisfy the slots'

Users would encounter a MPI job failed with openmpi/3.1.0-hpcx on Owens and Pitzer. The job would stop with the error  like "There are not enough slots available in the system to satisfy the slots". Please switch to openmpi/3.1.4-hpcx. The buggy version openmpi/3.1.0-hpcx will be removed on August 18 2020.

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Resolved: We removed  openmpi/3.1.0-hpcx on August 18 2020.

Error 'libim_client.so: undefined reference to uuid@' with MVAPICH2 in Conda environment

Users may encoutner an error like 'libim_client.so: undefined reference to `uuid_unparse@UUID_1.0' while compiling MPI applications with mvapich2 in some Conda enivronments. We found pre-installed libuuid package from Conda conflicting with system libuuid libraries. The affected Conda packages are python/2.7-conda5.2python/3.6-conda5.2 and python/3.7-2019.10.

Incorrect MPI launcher and compiler wrappers with Conda environments python/2.7-conda5.2 and python/3.6-conda5.2

Users may encounter under-performing MPI jobs or failures of compiling MPI applications if you are using Conda from system. We found pre-installed mpich2 package in some Conda environments overrides default MPI path. The affected Conda packages are python/2.7-conda5.2 and python/3.6-conda5.2. If users experience these issues, please re-load MPI module, e.g. module load mvapich2/2.3.2 after setting up your Conda environment.

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