./configure -mpp or -mppx??

Jen-Shiang Kenny Yu jsyu at Platinum.Chem.nthu.edu.tw
Tue Feb 12 06:13:42 GMT 2002


Dear Sir/Madam,

	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
 make:
 
 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
http://oxygen.chem.nthu.edu.tw/~jsyu
Theoretical Chemistry Lab,
Department of Chemistry,
National Tsing Hua University
Hsinchu 300, TAIWAN



More information about the Molpro-user mailing list