OpenMP parallelization in AMBER6

From: Marios Philippopoulos <>
Date: Mon 13 Mar 2000 14:30:41 -0500

Hi everyone,

I have been told that MPI parallelization is not optimal on SGI
machines, whereas OpenMP is. From my own recent experience, I have found
that my jobs take about twice as long to complete as suggested by the
actual cpu time reported in the output file. I just checked the AMBER6
manual, and in the INSTALL.parallel file (in the "Shared Memory"
section) it is stated that:

"Under development is an OpenMP version which should be portable to a
of shared memory multiprocessor machines."

Would anyone know when the OpenMP implementation might be ready for use?
Also, any comments on any of the above are welcome.



Marios Philippopoulos, PhD
Structural Biology and Biochemistry Programme
Hospital for Sick Children
555 University Avenue
Toronto Ontario Canada M5G 1X8
Received on Mon Mar 13 2000 - 11:30:41 PST
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