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ga_installation [2021/06/02 08:27]
qianli
ga_installation [2021/06/02 08:28]
qianli
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   * Use ''%%--with-sockets%%'' for single workstations and servers connected by ethernet.   * Use ''%%--with-sockets%%'' for single workstations and servers connected by ethernet.
-  * Use ''%%--with-openib%%'' for nodes connected by InfiniBand, also preferably on top of the latest openmpi with UCX. +  * Use ''%%--with-openib%%'' for nodes connected by InfiniBand, preferably on top of the latest version of [[https://github.com/openucx/ucx/wiki/OpenMPI-and-OpenSHMEM-installation-with-UCX|openmpi with UCX]]
-  * When a helper process on each node can be tolerated, use ''%%--with-mpi-pr%%'', preferably on top of the latest version of [[https://github.com/openucx/ucx/wiki/OpenMPI-and-OpenSHMEM-installation-with-UCX|openmpi with UCX]].+  * When a helper process on each node can be tolerated, use ''%%--with-mpi-pr%%'', also preferably using the latest version of openmpi with UCX.
  
 The first two GA runtimes do not need any helper processes, but has a serious disadvantage that with ''--ga-impl ga'' (the default for multi-node calculations since Molpro 2020.2 and for all calculations in earlier versions), the GA software frequently crashes or gives wrong numbers if several GAs are allocated whose total size exceeds 16 GB (2 MW). This can be avoided by using ''--ga-impl disk'' (default for single-node calculations since Molpro 2020.2), or allocating in the beginning of the job a very large GA with at least the size of the total GA space needed in the calculation (which is not known in advance). The latter can be done with the ''-G'' or ''-M'' molpro options. The first two GA runtimes do not need any helper processes, but has a serious disadvantage that with ''--ga-impl ga'' (the default for multi-node calculations since Molpro 2020.2 and for all calculations in earlier versions), the GA software frequently crashes or gives wrong numbers if several GAs are allocated whose total size exceeds 16 GB (2 MW). This can be avoided by using ''--ga-impl disk'' (default for single-node calculations since Molpro 2020.2), or allocating in the beginning of the job a very large GA with at least the size of the total GA space needed in the calculation (which is not known in advance). The latter can be done with the ''-G'' or ''-M'' molpro options.