AMBER Archive (2009)
Subject: [AMBER] pmemd compile error....

From: Giorgos Lamprinidis (lamprinidis_at_pharm.uoa.gr)
Date: Thu Mar 19 2009 - 10:06:04 CDT

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Duke,

My colleague Giannis Georgiadis re-compiled pmemd with 64bit compiler because our HP supercomputer has more than 1GB stack limit for 64bit applications. We shall increase the stack limit for the 32bit version to 400MB (this is the maximum) when he reboot the computer.

The warning messages disappeared but the Terminated Abnormally errors are still there without any other messages..

...................

STOP PMEMD Terminated Abnormally!

MPI Application rank 6 exited before MPI_Init() with status 0

Failed sending message: (Unable to connect to socket (Connection refused)).

....................

Any suggestions plz?

Dr George Lamprinidis
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AMBER Archive (2009)Subject: [AMBER] pmemd compile error....

AMBER Archive (2009)
Subject: [AMBER] pmemd compile error....