AMBER Archive (2006)

Subject: AMBER: <kein Betreff>

From: Michel Becker (michelbeacker_at_web.de)
Date: Mon Nov 13 2006 - 05:21:58 CST

Dear Amber Users,

recently we have compiled the multiprocessorversion of Amber8 but unfortunately a rather strange problem has occured. As I am accustumed to know with Amber 7 the .out and .inf files are written and readable during a job.
Surley you can influence this with ntpr and ntwx.

But with that multiprocessorversion of Amber8, the .out and .inf files are written not until the job is finished. It's a little trouble not to know what's going on during the run; our boss ment, it could be a problem of a wrong adjustment of the buffer; perhaps files are first written until they are large enough to overcome the buffer capacity (because the .rst and .trj files are written during the jobs)

Thanks a lot in advance.

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