From chemistry-request.,at,.ccl.net Mon Jul 21 20:26:35 2003
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Date: Mon, 21 Jul 2003 20:25:49 -0400
From: "Michael Chen" <chenm~at~upstate.edu>
To: <chemistry~at~ccl.net>
Subject: SHAKE problem.
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Hi, guys,

   I ran a multi-processor job in use of SHAKE, and I got tons of bizzar
messages like this:

 ERROR in SHAKEA. Contraints spanning parallel partition ignored.

   Would someone please tell me what was going on? Was this because of
hardware things or software things? My CHARMM still kept running, but those
messages were so annoying.
   Thank you very much.
   Have a nice day.

*****************************************************
Michael Chen

Department of Biochemistry & Pharmacology
SUNY Upstate Medical University 
750 East Adams Street 
Syracuse, NY 13210
USA
*****************************************************