AMBER Archive (2004)

Subject: Re: AMBER: PMEMD Built ? Wont run..

From: david.evans_at_ulsop.ac.uk
Date: Tue May 11 2004 - 11:32:18 CDT

I'm not a AMBER/PMEMD guru, but you should first check that all your
namelist input parameters are allowed by pmemd. Look at pg. 179 of
the Amber8 manual, and pg.293 for obsolete Sander7 parameters --
these also seem to make pmemd crash. I had the same problem a week
ago!

Dave Evans

---- Message from Gary Waters <gwaters_at_paracel.com> at 2004-05-11
09:00:33 ------
>Hi Everyone,
>
>I believe I built pmemd correctly with mpich.
>On mpich I can do some of the example and test runs fine, with no
>errors. Then I go over to pmemd and run my script, and get these
>errors. I do not know what is going on, can someone shed some light
on
>my dilemma ?
>
>forrtl: severe (19): invalid reference to variable in NAMELIST input,
>unit 5, file /export/bionumerik/pmemd.in
>Image PC Routine Line Source
>pmemd 0811333F Unknown Unknown Unknown
>pmemd 080DF9AB Unknown Unknown Unknown
>
>Stack trace terminated abnormally.
>p2_29314: p4_error: net_recv read: probable EOF on socket: 1
>p10_11492: p4_error: net_recv read: probable EOF on socket: 1
>bm_list_17110: (0.444700) wakeup_slave: unable to interrupt slave 0
pid
>17109
>bm_list_17110: (0.444772) wakeup_slave: unable to interrupt slave 0
pid
>17109
>p9_11334: p4_error: net_recv read: probable EOF on socket: 1
>p15_9668: p4_error: net_recv read: probable EOF on socket: 1
>
>--
>Thanks,
>Gary Waters
>--------------------------------------------------------------------- 

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