./configure -mpp or -mppx??
Jen-Shiang Kenny Yu
jsyu at Platinum.Chem.nthu.edu.tw
Tue Feb 12 06:13:42 GMT 2002
I would like to learn about the proper configure parameters for MOLPRO
2002.1 with a Linux Cluster having 10 nodes, 2 SMP CPUs per node. What is
the difference between ./configure -mpp and -mppx?
Also, is it possible to execute parallel computation on Linux
with GA only and without MPI? I have tried all the different kinds of
combinations, but found that MPI is required for any sitiations, e.g,
the answer to
Do wish to link molpro against tcgmsg-mpi rather than plain tcgmsg?
must be yes. Otherwise the following error will pop-out while running
GNUmakefile:36: *** Cannot find 'parallel' command in PATH. Stop.
Thank you very much for your assist.
Yu, Jen-Shiang Kenny // jsyu at Platinum.chem.nthu.edu.tw
Theoretical Chemistry Lab,
Department of Chemistry,
National Tsing Hua University
Hsinchu 300, TAIWAN
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