AMBER Archive (2005)

Subject: Re: AMBER: Compiling AMBER 8 for Mac OSX (Parallel)

From: Emmanuel Giudice (Emmanuel.Giudice_at_mssm.edu)
Date: Tue Jan 18 2005 - 00:09:47 CST

I Noah
We have run into the same problem.
we purchase a couple of month ago a cluster of G5 Xserves, using a Sun
Grid Engine 5.3 and mpich-1.2.6
I worked wtih the system ingeneer to install amber amd pmemd on this new
machine. The serial jobs works ok but
when we try parrallel execution we get error messages of the sort:

Unit 7 Error on OPEN: ^@^@^@^@.....
  [2] MPI Abort by user Aborting program !
  [2] Aborting program!

we modify the config.h file as described on the mailing list archive cf
http://structbio.vanderbilt.edu/archives/amber-archive/2004/1962.phtml
and later
we are no trying instal lammpi and retry with this different library ...
but nothing works yet.

Please let me know what you have tried and if you have better luck than us.

E. Giudice 

-- 
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                                Emmanuel GIUDICE
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MOUNT SINAI SCHOOL OF MEDICINE
DEPARTMENT OF PHYSIOLOGY AND BIOPHYSICS                Emmanuel.Giudice_at_mssm.edu
One Gustave L. Levy place, Annenberg Building          Tel-Labo : (212) 241-1613
21st Floor, Room 78 New York, NY 10029                 Fax      : (212) 860-3369
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