AMBER Archive (2009)

Subject: Re: [AMBER] pmemd/bintraj and ifort 10.1.0.21

From: Robert Duke (rduke_at_email.unc.edu)
Date: Wed Jul 01 2009 - 13:54:52 CDT

Have you rebuilt the netcdf module? Try rebuilding it (ie., rebuild either
in the netcdf subtree or rebuild serial at the amber/src level). I would
think that will catch you up with your compiler upgrade; may be a sticky
point or two...
Regards - Bob
----- Original Message -----
From: "Peter Varnai" <p.varnai_at_sussex.ac.uk>
To: <amber_at_ambermd.org>
Sent: Wednesday, July 01, 2009 2:28 PM
Subject: [AMBER] pmemd/bintraj and ifort 10.1.0.21

> Hello,
>
> Compilation of pmemd (amber10; all bugfix applied) is ok with ifort
> 10.1.0.21 and intelmpi 3.2.0.011 on intel xeon cpu without bintraj.
>
> However, when bintraj is activated the compilation stops with
> fortcom: Error: bintraj.f90, line 73: The module file cannot be read. Its
> format
> requires a more recent F90 compiler. [NETCDF]
> use netcdf
> ------^
>
> Since http://ambermd.org/amber10.bench1.html states that 'Intel Ifort
> v10.1.018' was used to compile a bintraj enabled pmemd, I am not sure
> where the problem is. I note that pmemd compilation hangs using ifort
> version 11.0.069 (known problem). Any help would be appreciated.
>
> regards,
> Peter
>
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>

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