Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer

From: Jason Swails <>
Date: Fri, 12 Jul 2013 09:45:53 -0400

On Fri, Jul 12, 2013 at 9:02 AM, David A Case <>wrote:

> On Fri, Jul 12, 2013, Marc van der Kamp wrote:

> [Developers, esp. Jason: is there any reason that "make clean" (run
> automagically by configure) should not be doing this?]

Because then it would trigger rebuilding NetCDF when this is rarely
necessary. This is the first time I've ever seen the error that Marc
reported -- usually the compiler detects when the NetCDF mod is
incompatible (this appears simply to have been corrupted). One thing we
can add is to have configure automatically delete this file if it's
'broken'. (configure already tests the validity of netcdf.mod for external
NetCDF installations, so this is an easy extension).

The upshot of this approach is that we can actually bypass the NetCDF
configure altogether if the existing NetCDF 'works' (some machines with
slow file systems -- especially the Crays I've compiled on -- take
painfully long to complete this step, IMO).

All the best,

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
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Received on Fri Jul 12 2013 - 07:00:02 PDT
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