Dear Prof. David,
It works well with tleap when I compile with gcc. But I am still unable sort
out the xleap problem.
csm43|/theo1/tmp/jiten:821> -I: Adding /theo1/tmp/amber8/dat/leap/prep to
search path.
-I: Adding /theo1/tmp/amber8/dat/leap/lib to search path.
-I: Adding /theo1/tmp/amber8/dat/leap/parm to search path.
-I: Adding /theo1/tmp/amber8/dat/leap/cmd to search path.
Segmentation fault (core dumped)
Sincerely,
Jiten
----- Original Message -----
From: "David A. Case" <case.scripps.edu>
To: <amber.scripps.edu>
Sent: Friday, July 16, 2004 2:02 AM
Subject: Re: AMBER: xleap solvatebox/oct problem
> On Fri, Jul 16, 2004, Jiten wrote:
> >
> > Here is the similar problem with lteap installed in Opteron compiled
with
> > PGI. I find that the water molecules are far away from the UNIT. Any
> > suggestions to fix this problem will be highly appreciated.
>
> There have been both public and private reports of problems with LEaP
> compiled with pgcc. Can you try compiling with gcc instead?
>
> (Work in ongoing to find the pgcc problem, but there is nothing to report
> yet. And, this might not be your problem, but the symptoms sound
similar.)
>
> ....thanks...dac
>
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Received on Fri Jul 16 2004 - 10:53:00 PDT
