Re: Running Molcas on a Linux Cluster

Posted by Valera Veryazov on January 16, 2003 at 13:19:57:

In Reply to: Running Molcas on a Linux Cluster posted by Jose C. Corchado on January 16, 2003 at 12:57:29:

: I am trying to install Molcas 5.2 on a Red Hat 7.2 Linux Cluster with Portland compilers (Portland's Cluster Development Kit). When I run it on one processor, it works fine, but when I try to run it on two or more processors I get the following error:

Currently MOLCAS runs in parallel only on the limited numbers of platforms.

I recommend you to try GNU/G77 instead of Portland compiler. (On serial calculations there is no performance difference between g77 and pgf77.) And MOLCAS 5.4 was tested on Linux clusters with gcc/g77 (3.+) and mpich.

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: : : I am trying to install Molcas 5.2 on a Red Hat 7.2 Linux Cluster with Portland compilers (Portland's Cluster Development Kit). When I run it on one processor, it works fine, but when I try to run it on two or more processors I get the following error: : Currently MOLCAS runs in parallel only on the limited numbers of platforms. : I recommend you to try GNU/G77 instead of Portland compiler. (On serial calculations there is no performance difference between g77 and pgf77.) And MOLCAS 5.4 was tested on Linux clusters with gcc/g77 (3.+) and mpich.