AMBER Archive (2000)

Subject: OpenMP parallelization in AMBER6

From: Marios Philippopoulos (mphilip_at_sickkids.on.ca)
Date: Mon Mar 13 2000 - 13:30:41 CST


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
variety
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.

Thanks,

Marios

--
Marios Philippopoulos, PhD
Structural Biology and Biochemistry Programme
Hospital for Sick Children
555 University Avenue
Toronto Ontario Canada M5G 1X8

mphilip_at_sickkids.on.ca