AMBER Archive (2004)

Subject: AMBER: AMBER8 parallel job

From: Emmanuel Giudice (Emmanuel.Giudice_at_mssm.edu)
Date: Mon Nov 15 2004 - 01:39:50 CST

Hello,

We've compilerd Amber 8 on a cluster of G5 Xserves and want it to
execute in parallel. Our serial jobs successfully finish using Sun Grid
Engine 5.3 and using mpich-1.2.6.

But when we try the parallel execution, we get error messages of the sort:

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

It seems that multiple processors are trying to write simultaneously on
UNIT 7 (mdinfo).
Has anyone else run into this?

Thanks,
Emmanuel & Kevin 

-- 
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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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